Geometry & MOs

Info

ID:	429587
PubChem CID:	135169636
Reduced:	O2N3F4H13C16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	489.130712
ΔH_f, kcal/mol:	-215.73
Dipole, Da:	3.95
IP(EA), eV:	-9.45(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC1=CC=CC2=C1C=C(C=N2)F)C(F)(F)F

DOS

IR

Vibrations