Geometry & MOs

Info

ID:

397788

PubChem CID:

135030731

Reduced:

SO5N6C15H23 (1)

Stoich.:

AB5C6D15E23 (1)

Weight, g/mol:

329.143453

ΔHf, kcal/mol:

-161.45

Dipole, Da:

5.8

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754076

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[S+](CC[C@H](C(=O)O)N)C[C@@H]1C(C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations