Geometry & MOs

Info

ID:	269330
PubChem CID:	103617010
Reduced:	ClNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	369.00343
ΔH_f, kcal/mol:	-93.84
Dipole, Da:	2.31
IP(EA), eV:	-8.58(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)CS(=O)(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations