Geometry & MOs

Info

ID:

132771

PubChem CID:

51417953

Reduced:

N2O5C11H11 (1)

Stoich.:

A2B5C11D11 (1)

Weight, g/mol:

241.037995

ΔHf, kcal/mol:

-159.58

Dipole, Da:

3.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.785995

Charge, e:

 -1

Chem-info

IUPAC name:

(2R)-2-[(2-chlorophenyl)carbamoylamino]propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)[O-])NC(=O)NC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations