Geometry & MOs

Info

ID:	438707
PubChem CID:	135228458
Reduced:	F2N3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	353.142722
ΔH_f, kcal/mol:	-224.08
Dipole, Da:	2.8
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-dihydroisoindole-2-carbonyl)-2-fluoro-4-hydroxy-7-propan-2-yl-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)CNC(=O)C2CNC[C@@H]2C(=O)NCC3=CC4=C(C=C3)OCO4)(F)F

DOS

IR

Vibrations