Geometry & MOs

Info

ID:	60563
PubChem CID:	26697195
Reduced:	BrSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	4.84
IP(EA), eV:	-8.73(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC[C@@H]3C)Br

DOS

IR

Vibrations