Geometry & MOs

Info

ID:	338068
PubChem CID:	127258699
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	342.103814
ΔH_f, kcal/mol:	-89.9
Dipole, Da:	4.98
IP(EA), eV:	-8.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-[(4-phenylsulfanylphenyl)hydrazinylidene]ethyl] 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC(C)(C)/C=N/NC1=CC=CC=C1

DOS

IR

Vibrations