Geometry & MOs

Info

ID:	447244
PubChem CID:	135281422
Reduced:	O2N3F7H8C13 (1)
Stoich.:	A2B3C7D8E13 (1)
Weight, g/mol:	485.116064
ΔH_f, kcal/mol:	-355.49
Dipole, Da:	1.34
IP(EA), eV:	-10.23(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-3-(2-hydroxyethoxy)-6-(2-hydroxypropan-2-yl)isoindol-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=NOC(=N2)C(F)(F)F)F)CNC(=O)CC(F)(F)F

DOS

IR

Vibrations