Geometry & MOs

Info

ID:	193501
PubChem CID:	78401394
Reduced:	N2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-3.49
Dipole, Da:	4.82
IP(EA), eV:	-8.9(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-yl]sulfanyl]acetyl]-2-phenylacetohydrazide

Drug info:

PubChemData

Smile

CN1C(=CC=C2C=CC(=O)C(=C2)OC)N=C3C=CC=CC3C1=O

DOS

IR

Vibrations