Geometry & MOs

Info

ID:	269331
PubChem CID:	103617011
Reduced:	BrNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	-82.93
Dipole, Da:	9.87
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)sulfonyl-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations