Geometry & MOs

Info

ID:	37361
PubChem CID:	8020161
Reduced:	SO3N5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	329.056719
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	4.1
IP(EA), eV:	-8.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(2E)-2-(1-methyl-2-oxoindol-3-ylidene)hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=N\NC(=S)NCCN2CCOCC2)OCC#N

DOS

IR

Vibrations