Geometry & MOs

Info

ID:	169567
PubChem CID:	75120783
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	517.214761
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	4.28
IP(EA), eV:	-8.96(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazolidin-3-yl]sulfanyl]-N'-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=O)NC2C1C(NN2CC3=CC=CC=C3)C

DOS

IR

Vibrations