Geometry & MOs

Info

ID:	146245
PubChem CID:	53659209
Reduced:	NSO4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	338.24571
ΔH_f, kcal/mol:	-146.42
Dipole, Da:	4.26
IP(EA), eV:	-9.03(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(1S,2S,4aS,8aS)-7,8,8-trihydroxy-2,5,5,8a-tetramethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-1-yl]-3-methylpent-4-en-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C2CCC3=CC=CC=C23

DOS

IR

Vibrations