Geometry & MOs

Info

ID:

214497

PubChem CID:

85083125

Reduced:

PN2O3H26C34 (1)

Stoich.:

AB2C3D26E34 (1)

Weight, g/mol:

542.075233

ΔHf, kcal/mol:

39.17

Dipole, Da:

14.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.196831

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl 7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)C=N[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations