Geometry & MOs

Info

ID:	157420
PubChem CID:	56424094
Reduced:	ON2S2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	314.999989
ΔH_f, kcal/mol:	-4.02
Dipole, Da:	5.69
IP(EA), eV:	-8.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-1-methyl-N-(6-methylsulfanylpyridin-3-yl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)NC2=CN=C(C=C2)SC

DOS

IR

Vibrations