Geometry & MOs

Info

ID:

150549

PubChem CID:

53790242

Reduced:

SO2C27H32 (1)

Stoich.:

AB2C27D32 (1)

Weight, g/mol:

797.03957

ΔHf, kcal/mol:

-61.31

Dipole, Da:

8.69

IP(EA), eV:

 -8.76(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6S)-7-[2-(2-bromo-4-nitrophenyl)sulfinylethylimino]-3-[methoxy-(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@H]2SCCC4=CC=CC=C4)CC=C5[C@@]3(C=CC(=O)C5)C

DOS

IR

Vibrations