Geometry & MOs

Info

ID:

388919

PubChem CID:

134990607

Reduced:

SN3O4C28H37 (1)

Stoich.:

AB3C4D28E37 (1)

Weight, g/mol:

951.252543

ΔHf, kcal/mol:

-100.32

Dipole, Da:

4.91

IP(EA), eV:

 -8.29(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6R,7R)-7-[[(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-8-oxo-3-[(triphenyl-lambda5-phosphanylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2CO[C@@H]4[C@@]5(CC[C@@H](C5)C4(C)C)C)C=CC(=C3)OC

DOS

IR

Vibrations