Geometry & MOs

Info

ID:	194635
PubChem CID:	78566763
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	412.148159
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	3.36
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)OCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations