Geometry & MOs

Info

ID:	396289
PubChem CID:	135027937
Reduced:	SN3O3H15C22 (1)
Stoich.:	AB3C3D15E22 (1)
Weight, g/mol:	319.193614
ΔH_f, kcal/mol:	46.21
Dipole, Da:	5.7
IP(EA), eV:	-8.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-benzyl-3-butyl-3-prop-2-enylindol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)C4=[N+](C=CC5=CC=CC=C54)[O-]

DOS

IR

Vibrations