Geometry & MOs

Info

ID:	398706
PubChem CID:	135034946
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	234.055991
ΔH_f, kcal/mol:	-42.5
Dipole, Da:	2.53
IP(EA), eV:	-8.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(3-amino-2-chloroprop-2-enylidene)-5-methyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)SC2=CNC3=C2C=CC=N3

DOS

IR

Vibrations