Geometry & MOs

Info

ID:

215314

PubChem CID:

85084532

Reduced:

OC29H40 (2)

Stoich.:

AB29C40 (2)

Weight, g/mol:

809.289463

ΔHf, kcal/mol:

-114.1

Dipole, Da:

5.03

IP(EA), eV:

 -8.41(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[[2-benzhydryloxycarbonyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C=C1CCCCCC)C3C4CC5=C(CC4C2O3)CC6=C(C5)CC7=C(C6)CC8C(C7)C9C1=C(C8O9)C=C(C(=C1)CCCCCC)CCCCCC

DOS

IR

Vibrations