Geometry & MOs

Info

ID:	232930
PubChem CID:	87577733
Reduced:	BrNO3C7H8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	548.149634
ΔH_f, kcal/mol:	-115.71
Dipole, Da:	2.21
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-[5-(4-methylpiperazin-1-yl)sulfonyl-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)Br.C(C(=O)O)O

DOS

IR

Vibrations