Geometry & MOs

Info

ID:	447383
PubChem CID:	135282504
Reduced:	ClN2O3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	529.133525
ΔH_f, kcal/mol:	-154.91
Dipole, Da:	6.95
IP(EA), eV:	-8.98(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(1-aminocyclopropyl)methoxy]-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-4-fluoro-6-(2-hydroxypropan-2-yl)isoindol-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1Cl)OC[C@@H](C)CC(C)(C)NC(=O)O)C

DOS

IR

Vibrations