Geometry & MOs

Info

ID:

232401

PubChem CID:

87576128

Reduced:

SO4H6C8 (1)

Stoich.:

AB4C6D8 (1)

Weight, g/mol:

1180.298958

ΔHf, kcal/mol:

-116.3

Dipole, Da:

4.96

IP(EA), eV:

 -9.85(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-[[(2Z)-2-[5-chloro-2-(tritylamino)-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CO2)C=C1S(=O)(=O)O

DOS

IR

Vibrations