Geometry & MOs

Info

ID:	46471
PubChem CID:	10524571
Reduced:	ON2H24C27 (1)
Stoich.:	AB2C24D27 (1)
Weight, g/mol:	392.165745
ΔH_f, kcal/mol:	60.87
Dipole, Da:	8.16
IP(EA), eV:	-8.35(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5R,6S,8aS)-8-(benzenesulfonylmethyl)-5,6-dihydroxy-4,4,7,8a-tetramethyl-3,4a,5,6-tetrahydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(C(=C3N2CCN3)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations