Geometry & MOs

Info

ID:	133948
PubChem CID:	51618202
Reduced:	N2O4C24H29 (1)
Stoich.:	A2B4C24D29 (1)
Weight, g/mol:	389.104542
ΔH_f, kcal/mol:	-87.8
Dipole, Da:	4.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.127024
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N'-[2-(3-methylphenoxy)acetyl]-2-(4-nitrophenyl)sulfanylpropanehydrazide

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

DOS

IR

Vibrations