Geometry & MOs

Info

ID:	44049
PubChem CID:	10500614
Reduced:	SO5C21H26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	390.128966
ΔH_f, kcal/mol:	-200.21
Dipole, Da:	4.0
IP(EA), eV:	-8.47(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(C)[C@@]12CC[C@@](O1)(CC(=C2C(=O)OC)OC(=O)C)CSC3=CC=CC=C3

DOS

IR

Vibrations