Geometry & MOs

Info

ID:	120859
PubChem CID:	50747125
Reduced:	BrSN2O3C21H23 (1)
Stoich.:	ABC2D3E21F23 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	9.83
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCCN2S(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C)Br

DOS

IR

Vibrations