Geometry & MOs

Info

ID:	178423
PubChem CID:	76327098
Reduced:	SN3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	550.104397
ΔH_f, kcal/mol:	52.38
Dipole, Da:	3.09
IP(EA), eV:	-8.33(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1-benzyl-5-nitro-2-oxoindol-3-ylidene)amino]-2-methylphenyl]-5-chloroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCN(CCC)C(=S)N1CCC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations