Geometry & MOs

Info

ID:

59798

PubChem CID:

24897709

Reduced:

SN4O8C33H42 (1)

Stoich.:

AB4C8D33E42 (1)

Weight, g/mol:

490.066405

ΔHf, kcal/mol:

-271.03

Dipole, Da:

6.83

IP(EA), eV:

 -9.08(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2-oxo-5-propyl-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(1-hydroxythiolan-1-ium-3-yl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C=CC(=C2)OC)C(=C1)O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C

DOS

IR

Vibrations