Geometry & MOs

Info

ID:	406097
PubChem CID:	135076478
Reduced:	OSSiC20H34 (1)
Stoich.:	ABCD20E34 (1)
Weight, g/mol:	394.217781
ΔH_f, kcal/mol:	-103.25
Dipole, Da:	1.55
IP(EA), eV:	-8.35(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3a-hydroxy-1,2,3,4,5,6,7,8,9,10,11,12,13,13a-tetradecahydrocyclopenta[12]annulen-1-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@@H](C=CSC1=CC=CC=C1)[C@@H](C(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations