Geometry & MOs

Info

ID:	447487
PubChem CID:	135283292
Reduced:	FNO2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	412.092929
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	3.29
IP(EA), eV:	-9.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethylsulfonyl-6-[4-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)C(=C)F)N(C)C

DOS

IR

Vibrations