Geometry & MOs

Info

ID:	26940
PubChem CID:	804572
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	224.068473
ΔH_f, kcal/mol:	-189.12
Dipole, Da:	4.38
IP(EA), eV:	-9.43(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(S)-hydroxy(phenyl)methyl]butanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2CCCCC2

DOS

IR

Vibrations