Geometry & MOs

Info

ID:	429783
PubChem CID:	135169835
Reduced:	ClNOC5H6 (1)
Stoich.:	ABCD5E6 (1)
Weight, g/mol:	508.080841
ΔH_f, kcal/mol:	-13.89
Dipole, Da:	3.85
IP(EA), eV:	-10.03(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-2-aminosulfanylphenyl)-N-[5-chloro-6-(1-methylpyrazol-3-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC=NC(=C)C(=O)Cl

DOS

IR

Vibrations