Geometry & MOs

Info

ID:	387016
PubChem CID:	134983685
Reduced:	IH15C17 (1)
Stoich.:	AB15C17 (1)
Weight, g/mol:	390.128966
ΔH_f, kcal/mol:	66.67
Dipole, Da:	1.95
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3R)-5-methyl-3-methylsulfonyl-1-phenyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C(=C1C3=CC=CC=C3)I)C

DOS

IR

Vibrations