Geometry & MOs

Info

ID:	217197
PubChem CID:	85087408
Reduced:	ClFN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	341.081871
ΔH_f, kcal/mol:	16.61
Dipole, Da:	5.09
IP(EA), eV:	-9.14(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-hydroxy-3-(3-methyl-2-oxo-4-phenylbut-3-enyl)-1H-indol-2-one

Drug info:

PubChemData

Smile

C1C2C(C(C(C1C3=CC=CC=C3)Cl)F)NNC2NCC4=NC=CN4

DOS

IR

Vibrations