Geometry & MOs

Info

ID:	68404
PubChem CID:	46508351
Reduced:	ClN3O5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	353.071324
ΔH_f, kcal/mol:	-107.14
Dipole, Da:	6.26
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N'-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations