Geometry & MOs

Info

ID:	302042
PubChem CID:	124338789
Reduced:	ClFO2N3C24H29 (1)
Stoich.:	ABC2D3E24F29 (1)
Weight, g/mol:	479.058566
ΔH_f, kcal/mol:	-93.87
Dipole, Da:	3.79
IP(EA), eV:	-8.46(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N'-[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]acetohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations