Geometry & MOs

Info

ID:	214643
PubChem CID:	85083331
Reduced:	SiO7C31H52 (1)
Stoich.:	AB7C31D52 (1)
Weight, g/mol:	564.457387
ΔH_f, kcal/mol:	-367.37
Dipole, Da:	6.67
IP(EA), eV:	-9.01(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-3-(2-trimethylsilylethoxymethoxymethyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-5,6-diol

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

CC1C(C(=O)OC2C1OC(C(C(C2OCC3=CC=CC=C3)C)O[Si](C(C)C)(C(C)C)C(C)C)COCOC)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

CC1C(C(=O)OC2C1OC(C(C(C2OCC3=CC=CC=C3)C)O[Si](C(C)C)(C(C)C)C(C)C)COCOC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):