Geometry & MOs

Info

ID:	37143
PubChem CID:	8017450
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	391.023895
ΔH_f, kcal/mol:	-79.94
Dipole, Da:	1.78
IP(EA), eV:	-9.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2OCC

DOS

IR

Vibrations