Geometry & MOs

Info

ID:

150175

PubChem CID:

53789862

Reduced:

O3S3N5H35C42 (1)

Stoich.:

A3B3C5D35E42 (1)

Weight, g/mol:

753.190204

ΔHf, kcal/mol:

137.81

Dipole, Da:

0.81

IP(EA), eV:

 -8.82(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6S)-7-amino-8-oxo-3-[2,2,2-triphenyl-1-(2H-triazol-4-ylsulfanyl)ethyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1C(=C(N2[C@@H](S1)[C@@H](C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)SC(C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)SC8=NNN=C8

DOS

IR

Vibrations