Geometry & MOs

Info

ID:	132337
PubChem CID:	51345265
Reduced:	SN2O5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-153.65
Dipole, Da:	8.76
IP(EA), eV:	-8.84(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butanoylamino)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations