Geometry & MOs

Info

ID:	447261
PubChem CID:	135281544
Reduced:	O2F3N3H14C16 (1)
Stoich.:	A2B3C3D14E16 (1)
Weight, g/mol:	629.174721
ΔH_f, kcal/mol:	-100.32
Dipole, Da:	4.44
IP(EA), eV:	-9.81(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(4-chlorophenyl)-4-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1R)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C#C)C(=O)NCC1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F

DOS

IR

Vibrations