Geometry & MOs

Info

ID:	156908
PubChem CID:	56394857
Reduced:	SN2O5C21H30 (1)
Stoich.:	AB2C5D21E30 (1)
Weight, g/mol:	411.154269
ΔH_f, kcal/mol:	-184.72
Dipole, Da:	5.44
IP(EA), eV:	-8.95(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(carbamoylamino)phenyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C2=CC=CC=C2O1)CS(=O)(=O)C)N3CCOCC3

DOS

IR

Vibrations