Geometry & MOs

Info

ID:	326543
PubChem CID:	126687746
Reduced:	N3O8C14H21 (1)
Stoich.:	A3B8C14D21 (1)
Weight, g/mol:	161.068808
ΔH_f, kcal/mol:	-324.26
Dipole, Da:	8.89
IP(EA), eV:	-9.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminoethenyl)oxolane-2,3,4-triol

Drug info:

PubChemData

Smile

CNC(C(=C)[C@@H](C1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)OCO)O

DOS

IR

Vibrations