Geometry & MOs

Info

ID:

15570

PubChem CID:

444562

Reduced:

S2O4N6C19H28 (1)

Stoich.:

A2B4C6D19E28 (1)

Weight, g/mol:

468.161346

ΔHf, kcal/mol:

-136.53

Dipole, Da:

5.5

IP(EA), eV:

 -9.08(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6R,8aS)-6-(benzylsulfonylamino)-N-[3-(diaminomethylideneamino)propyl]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]2N([C@@H](CS2)C(=O)NCCCN=C(N)N)C(=O)[C@@H]1NS(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations