Geometry & MOs

Info

ID:	235354
PubChem CID:	92309581
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-166.74
Dipole, Da:	4.21
IP(EA), eV:	-8.61(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-1-hydroxy-3-oxo-1H-isoindol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C1=O)C(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations