Geometry & MOs

Info

ID:	84539
PubChem CID:	49867405
Reduced:	N2O5C10H18 (1)
Stoich.:	A2B5C10D18 (1)
Weight, g/mol:	231.029835
ΔH_f, kcal/mol:	-237.16
Dipole, Da:	10.32
IP(EA), eV:	-9.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-amino-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C(CCN)CC(C(=O)O)NC(=O)CCC(=O)O

DOS

IR

Vibrations