Geometry & MOs

Info

ID:	342211
PubChem CID:	127264988
Reduced:	ClO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	348.033541
ΔH_f, kcal/mol:	-32.25
Dipole, Da:	6.48
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(3-methylthiophen-2-yl)-3-oxopropanamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations