Geometry & MOs

Info

ID:	234061
PubChem CID:	92297637
Reduced:	N2O3C9H10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	315.056529
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	6.37
IP(EA), eV:	-9.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(phenoxathiine-4-carbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)N(C1=CC=CC=C1)N=O

DOS

IR

Vibrations