Geometry & MOs

Info

ID:	232870
PubChem CID:	87577318
Reduced:	N3O5H17C22 (1)
Stoich.:	A3B5C17D22 (1)
Weight, g/mol:	457.130757
ΔH_f, kcal/mol:	-24.12
Dipole, Da:	7.26
IP(EA), eV:	-9.57(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-[5-(ethylsulfonylamino)-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(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations