Geometry & MOs

Info

ID:	438091
PubChem CID:	135227662
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	455.098743
ΔH_f, kcal/mol:	30.75
Dipole, Da:	3.3
IP(EA), eV:	-8.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfonyl-N-[2-(methylamino)-5-(trifluoromethyl)pyridin-3-yl]-6-(1,2,4-triazol-1-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CC=CC=C2C(=NC3=CC=CC=C3OC)NN

DOS

IR

Vibrations