Geometry & MOs

Info

ID:	69243
PubChem CID:	46530516
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	1.01
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(carbamoylamino)phenyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)OC)NC(=O)COC3=CC4=C(C=C3)OC5=CC=CC=C54

DOS

IR

Vibrations