Geometry & MOs

Info

ID:

219292

PubChem CID:

85098507

Reduced:

NSO9H33C41 (1)

Stoich.:

ABC9D33E41 (1)

Weight, g/mol:

717.149795

ΔHf, kcal/mol:

-221.06

Dipole, Da:

4.83

IP(EA), eV:

 -8.46(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=S)NC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations