Geometry & MOs

Info

ID:	408417
PubChem CID:	135081183
Reduced:	NO5C10H16 (1)
Stoich.:	AB5C10D16 (1)
Weight, g/mol:	231.110673
ΔH_f, kcal/mol:	-208.05
Dipole, Da:	1.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753051
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-amino-3-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations