Geometry & MOs

Info

ID:	82977
PubChem CID:	49856918
Reduced:	SSiO4C17H30 (1)
Stoich.:	ABC4D17E30 (1)
Weight, g/mol:	370.250795
ΔH_f, kcal/mol:	-236.38
Dipole, Da:	6.44
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3aR,4S,7aR)-1-[(E,2R,6S)-6-hydroxyhept-3-en-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl] benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations