Geometry & MOs

Info

ID:

229621

PubChem CID:

87568213

Reduced:

NNaSO4C11H13 (1)

Stoich.:

ABCD4E11F13 (1)

Weight, g/mol:

195.03968

ΔHf, kcal/mol:

-155.86

Dipole, Da:

10.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.846742

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)O)CC=N[C@@H](CS)C(=O)O.[Na]

DOS

IR

Vibrations