Geometry & MOs

Info

ID:

219845

PubChem CID:

85164955

Reduced:

O11C32H46 (1)

Stoich.:

A11B32C46 (1)

Weight, g/mol:

606.149444

ΔHf, kcal/mol:

-445.42

Dipole, Da:

6.01

IP(EA), eV:

 -9.28(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 3-[2,4-bis(hydroxymethyl)phenyl]sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CC(C2(C(C1(C)C3CC4C=COC4O3)CCCC25CO5)COC(=O)CC(C)OC(=O)CC(C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations