Geometry & MOs

Info

ID:	407956
PubChem CID:	135080711
Reduced:	NO5C8H14 (1)
Stoich.:	AB5C8D14 (1)
Weight, g/mol:	205.095023
ΔH_f, kcal/mol:	-221.58
Dipole, Da:	3.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752864
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-amino-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@@H]([C@H](C(=O)[O-])N)O)C

DOS

IR

Vibrations