Geometry & MOs

Info

ID:	338537
PubChem CID:	127259252
Reduced:	NCl2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	3.25
IP(EA), eV:	-9.79(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-[(4-ethenylphenyl)hydrazinylidene]methyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CC(=O)OCO/N=C/C1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations