Geometry & MOs

Info

ID:	198074
PubChem CID:	79043892
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	277.044046
ΔH_f, kcal/mol:	2.14
Dipole, Da:	3.67
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[(2-methylpyridin-3-yl)amino]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)NC(=O)CC(C2=CC=CC=C2)N

DOS

IR

Vibrations