Geometry & MOs

Info

ID:	381712
PubChem CID:	134972523
Reduced:	SN2O5H18C23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	384.077993
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	10.72
IP(EA), eV:	-9.09(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(4-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations