Geometry & MOs

Info

ID:	56523
PubChem CID:	17436072
Reduced:	Cl2O3N4H18C20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	3.89
IP(EA), eV:	-8.66(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(ethylcarbamoyl)-2-phenyl-2-pyridin-2-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CNC(=O)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)C

DOS

IR

Vibrations