Geometry & MOs

Info

ID:	447419
PubChem CID:	135282743
Reduced:	ClO2N3H4C5 (1)
Stoich.:	AB2C3D4E5 (1)
Weight, g/mol:	573.15974
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	5.32
IP(EA), eV:	-10.42(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyrimidin-2-yl)methyl]-4-fluoro-6-[1-hydroxy-1-(4-hydroxycyclohexyl)propyl]-3-methoxyisoindol-1-one

Drug info:

PubChemData

Smile

C1=CN=C(N=C1Cl)NC(=O)O

DOS

IR

Vibrations