Geometry & MOs

Info

ID:	131847
PubChem CID:	51268670
Reduced:	FSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	393.137179
ΔH_f, kcal/mol:	-42.87
Dipole, Da:	3.85
IP(EA), eV:	-8.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCSC)C1=NN=C2N1C=CC=C2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations