Geometry & MOs

Info

ID:

215464

PubChem CID:

85084774

Reduced:

O25C40H52 (1)

Stoich.:

A25B40C52 (1)

Weight, g/mol:

932.227374

ΔHf, kcal/mol:

-1041.01

Dipole, Da:

4.77

IP(EA), eV:

 -9.74(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[[2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-3-(2,2,2-trifluoroethylcarbamoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)OC

DOS

IR

Vibrations