Geometry & MOs

Info

ID:	123033
PubChem CID:	50830993
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-45.7
Dipole, Da:	4.44
IP(EA), eV:	-8.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[4-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=C(SC3=C2NC(=C3C)C)C

DOS

IR

Vibrations