Geometry & MOs

Info

ID:	342200
PubChem CID:	127264974
Reduced:	SO4N5C20H29 (1)
Stoich.:	AB4C5D20E29 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-100.7
Dipole, Da:	5.97
IP(EA), eV:	-9.06(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)-N'-[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]propanehydrazide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)NN/C(=C/2\C(=C(C(=N2)C)C(=O)OCC)C)/C

DOS

IR

Vibrations