Geometry & MOs

Info

ID:	214503
PubChem CID:	85083131
Reduced:	Si2O3C32H54 (1)
Stoich.:	A2B3C32D54 (1)
Weight, g/mol:	542.488293
ΔH_f, kcal/mol:	-226.34
Dipole, Da:	2.52
IP(EA), eV:	-8.72(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-4-prop-2-enyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane

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

CC(=O)OC1=C(C=C2C3CCC4(C(C3CCC2=C1)CCC4O[Si](C)(C)C(C)(C)C)C)[Si](C)(C)C(C)(C)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

CC(=O)OC1=C(C=C2C3CCC4(C(C3CCC2=C1)CCC4O[Si](C)(C)C(C)(C)C)C)[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):