Geometry & MOs

Info

ID:

189540

PubChem CID:

77869474

Reduced:

FN4O4C24H29 (1)

Stoich.:

AB4C4D24E29 (1)

Weight, g/mol:

758.215232

ΔHf, kcal/mol:

-160.56

Dipole, Da:

5.16

IP(EA), eV:

 -8.92(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-[(6,7-dihydroxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromene-3-carbonyl)amino]-2-phenylacetyl]amino]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C2=C1C=CC(=C2)F)CCN3CC(C(C3)O)CNCC4=CC5=C(C=N4)OCCO5

DOS

IR

Vibrations