Geometry & MOs

Info

ID:	401356
PubChem CID:	135051042
Reduced:	ClNC16H16 (1)
Stoich.:	ABC16D16 (1)
Weight, g/mol:	383.119129
ΔH_f, kcal/mol:	53.67
Dipole, Da:	1.73
IP(EA), eV:	-8.48(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(benzenesulfonyl)pyrrol-2-yl]-3-methoxy-1-phenylbutan-1-one

Drug info:

PubChemData

Smile

CN(CC(=C)Cl)C1=CC=CC=C1C2=CC=CC=C2

DOS

IR

Vibrations