Geometry & MOs

Info

ID:

148917

PubChem CID:

53788587

Reduced:

ClSN4O8C53H65 (1)

Stoich.:

ABC4D8E53F65 (1)

Weight, g/mol:

476.097683

ΔHf, kcal/mol:

-289.49

Dipole, Da:

6.06

IP(EA), eV:

 -8.38(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (6S)-7-amino-8-oxo-3-[2-(thiadiazol-4-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCS(=O)(=O)CC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C2=C(N(C3=CC=CC=C32)C)C(=O)N4CCCCC4)OC5=CC=C(C=C5)CC6=CC=C(C=C6)O

DOS

IR

Vibrations