Geometry & MOs

Info

ID:	130750
PubChem CID:	51099558
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-7.95
Dipole, Da:	6.81
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(ethylcarbamoyl)-2-[2-(methylsulfonylmethyl)anilino]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)C(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations