Geometry & MOs

Info

ID:	231967
PubChem CID:	87575022
Reduced:	SiO3C4H5 (1)
Stoich.:	AB3C4D5 (1)
Weight, g/mol:	536.389931
ΔH_f, kcal/mol:	-123.1
Dipole, Da:	2.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752689
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butyl methanesulfonate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OO[Si]

DOS

IR

Vibrations