Geometry & MOs

Info

ID:	447438
PubChem CID:	135282869
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	570.087303
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	7.03
IP(EA), eV:	-9.39(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-[(5-chloro-3-hydroxypyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoro-3-(2-hydroxyethoxy)-6-(1-methylimidazole-4-carbonyl)isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1C2=CC(=NC=C2)N(C)C(=O)O)OC[C@](C)(CC(C)C)N

DOS

IR

Vibrations