Geometry & MOs

Info

ID:	403371
PubChem CID:	135059900
Reduced:	ON3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	275.098
ΔH_f, kcal/mol:	15.05
Dipole, Da:	4.7
IP(EA), eV:	-8.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(E)-2-methyl-1-methylsulfanyl-3-oxobut-1-enyl]-3H-indol-2-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(NC3=CC=CC=C32)N=C1

DOS

IR

Vibrations