Geometry & MOs

Info

ID:	444563
PubChem CID:	135262859
Reduced:	ClSN2O5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-113.44
Dipole, Da:	3.22
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)Cl)NC(=O)C3(CC3)C4=CC5=C(C=C4)NS(=O)(=O)CO5)C

DOS

IR

Vibrations