Geometry & MOs

Info

ID:	413932
PubChem CID:	135086883
Reduced:	ClSO2N4H17C22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	59.41
Dipole, Da:	5.28
IP(EA), eV:	-8.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-methyl-3-[methylsulfanyl(pyrrolidin-1-yl)methylidene]indol-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=[N+]=[N-])C3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

DOS

IR

Vibrations