Geometry & MOs

Info

ID:	125196
PubChem CID:	50914516
Reduced:	ClO3N4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	374.049191
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	1.39
IP(EA), eV:	-8.68(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methylsulfonyl-N-[3-(1H-pyrrol-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)OC2=CC(=O)N(C=C2)C(CC(C)C)C(=O)NC3=NN(C=C3)C

DOS

IR

Vibrations