Geometry & MOs

Info

ID:	424238
PubChem CID:	135121872
Reduced:	N4O5C11H14 (1)
Stoich.:	A4B5C11D14 (1)
Weight, g/mol:	173.043656
ΔH_f, kcal/mol:	-140.68
Dipole, Da:	12.43
IP(EA), eV:	-9.31(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[(Z)-2-diazonio-1-hydroxyethenoxy]propanoate

Drug info:

PubChemData

Smile

COC1[C@H](O[C@H](C1O)N2C=NC3=C2NC=NC3=O)CO

DOS

IR

Vibrations