Geometry & MOs

Info

ID:	222291
PubChem CID:	85296310
Reduced:	SCl2O4C12H12 (1)
Stoich.:	AB2C4D12E12 (1)
Weight, g/mol:	325.146664
ΔH_f, kcal/mol:	-162.52
Dipole, Da:	3.43
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-benzylidene-5-methylindol-2-one

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(SC(=C2CC1C(=O)OC)Cl)Cl

DOS

IR

Vibrations