Geometry & MOs

Info

ID:	237933
PubChem CID:	92722880
Reduced:	N2O5H26C27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	389.153955
ΔH_f, kcal/mol:	-139.07
Dipole, Da:	7.23
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)C[C@H](C2=CC=C(C=C2)OC)N3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations