Geometry & MOs

Info

ID:	68124
PubChem CID:	46507792
Reduced:	F3O3N5H16C19 (1)
Stoich.:	A3B3C5D16E19 (1)
Weight, g/mol:	437.115775
ΔH_f, kcal/mol:	-194.07
Dipole, Da:	4.53
IP(EA), eV:	-9.42(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=NC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)N

DOS

IR

Vibrations