Geometry & MOs

Info

ID:

393094

PubChem CID:

135019327

Reduced:

Cl2N2O3C15H17 (1)

Stoich.:

A2B2C3D15E17 (1)

Weight, g/mol:

343.061623

ΔHf, kcal/mol:

-116.39

Dipole, Da:

3.36

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.090236

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC([C-](N[C@@H](CC1=C2CC=CC=C2[NH+]=C1)C(=O)OC)[O])(Cl)Cl

DOS

IR

Vibrations