Geometry & MOs

Info

ID:	33901
PubChem CID:	7888635
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	343.07391
ΔH_f, kcal/mol:	-139.37
Dipole, Da:	5.33
IP(EA), eV:	-8.85(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-nitrophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations