Geometry & MOs

Info

ID:	402484
PubChem CID:	135056156
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	357.152892
ΔH_f, kcal/mol:	15.49
Dipole, Da:	4.25
IP(EA), eV:	-9.62(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-methyl-3-[(E)-3-phenylprop-2-enyl]indol-2-one

Drug info:

PubChemData

Smile

C=C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations