Geometry & MOs

Info

ID:

44876

PubChem CID:

10506296

Reduced:

SO12C22H38 (1)

Stoich.:

AB12C22D38 (1)

Weight, g/mol:

526.156243

ΔHf, kcal/mol:

-534.44

Dipole, Da:

3.13

IP(EA), eV:

 -8.84(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl (5R,6S,8R,9R)-9-benzamido-10-oxo-5-phenyl-7-thia-1-azatricyclo[6.2.0.03,6]dec-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)OC)OC)OC)OC

DOS

IR

Vibrations