Geometry & MOs

Info

ID:	43903
PubChem CID:	10321957
Reduced:	NO6H25C27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	459.20055
ΔH_f, kcal/mol:	-175.0
Dipole, Da:	3.57
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-hydroxybutanoic acid;3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)O

DOS

IR

Vibrations