Geometry & MOs

Info

ID:	232492
PubChem CID:	87576316
Reduced:	ClO3N6C23H31 (1)
Stoich.:	AB3C6D23E31 (1)
Weight, g/mol:	505.130757
ΔH_f, kcal/mol:	-95.36
Dipole, Da:	6.58
IP(EA), eV:	-8.73(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=C1C)CN2CC(C3=C2N=C(N=C3Cl)N)CC(=O)N4CCOC(C4)CO)C

DOS

IR

Vibrations