Geometry & MOs

Info

ID:	385613
PubChem CID:	134979544
Reduced:	SN2O7C18H26 (1)
Stoich.:	AB2C7D18E26 (1)
Weight, g/mol:	608.371713
ΔH_f, kcal/mol:	-233.77
Dipole, Da:	6.42
IP(EA), eV:	-9.65(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,5R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5-dimethylcyclohex-3-ene-1-carboxylate

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

CC1=C[C@H]([C@](CC1)(C)C=O)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=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

CC1=C[C@H]([C@](CC1)(C)C=O)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):