Geometry & MOs

Info

ID:	220138
PubChem CID:	85165286
Reduced:	SiO5C41H58 (1)
Stoich.:	AB5C41D58 (1)
Weight, g/mol:	658.528473
ΔH_f, kcal/mol:	-259.35
Dipole, Da:	3.43
IP(EA), eV:	-8.87(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[6-hydroxy-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-5-yl]methylamino]-4-methylpentanoyl]amino]propanoate

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

CCCCCC=CC(C1C(CC2C1CC(=C2)CCCCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC(=O)C)OC(=O)C

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

CCCCCC=CC(C1C(CC2C1CC(=C2)CCCCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):