Geometry & MOs

Info

ID:	59440
PubChem CID:	24869001
Reduced:	SiN2O5C32H54 (1)
Stoich.:	AB2C5D32E54 (1)
Weight, g/mol:	670.437714
ΔH_f, kcal/mol:	-304.49
Dipole, Da:	4.4
IP(EA), eV:	-8.52(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-4'-[(4-methoxycyclohexyl)-dimethylsilyl]-3'-methyl-1-[[3-(3-oxo-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-4-yl)cyclohexyl]methyl]spiro[4,5,6,7-tetrahydroindole-3,2'-oxolane]-2-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1[C@H]([C@@H](O[C@]12C3=C(CCCC3)N(C2=O)CC4CCC(CC4)NC(=O)C)CCO)[Si](C)(C)C5CCC(CC5)OC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1[C@H]([C@@H](O[C@]12C3=C(CCCC3)N(C2=O)CC4CCC(CC4)NC(=O)C)CCO)[Si](C)(C)C5CCC(CC5)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):