Geometry & MOs

Info

ID:	403331
PubChem CID:	135059767
Reduced:	SO2N3H29C33 (1)
Stoich.:	AB2C3D29E33 (1)
Weight, g/mol:	287.098
ΔH_f, kcal/mol:	72.84
Dipole, Da:	10.46
IP(EA), eV:	-8.46(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-methylsulfanyl-(2-oxocyclohexylidene)methyl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=C[N+](=C(C(=C31)C4=CC=CC=C4)CC5=CC=CC=C5)[N-]S(=O)(=O)C6=CC=C(C=C6)C

DOS

IR

Vibrations