Geometry & MOs

Info

ID:	194615
PubChem CID:	78562283
Reduced:	FNO3C8H9 (2)
Stoich.:	ABC3D8E9 (2)
Weight, g/mol:	382.121195
ΔH_f, kcal/mol:	-326.73
Dipole, Da:	3.08
IP(EA), eV:	-9.33(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC(=O)NC)OC(F)F

DOS

IR

Vibrations