Geometry & MOs

Info

ID:	67584
PubChem CID:	46506768
Reduced:	SO2N6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	422.125802
ΔH_f, kcal/mol:	72.04
Dipole, Da:	2.68
IP(EA), eV:	-8.77(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-(4-chlorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-(pyridin-3-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=C(N=N2)C3=NSC(=N3)NC(=O)C4=CC=CO4)C

DOS

IR

Vibrations