Geometry & MOs

Info

ID:	429600
PubChem CID:	135169649
Reduced:	ClOSF3N9H13C18 (1)
Stoich.:	ABCD3E9F13G18 (1)
Weight, g/mol:	495.060439
ΔH_f, kcal/mol:	-9.01
Dipole, Da:	9.08
IP(EA), eV:	-8.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)N2C(=C(C=N2)C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F)SN)N

DOS

IR

Vibrations