Geometry & MOs

Info

ID:

146494

PubChem CID:

53697725

Reduced:

FNOC22H28 (1)

Stoich.:

ABCD22E28 (1)

Weight, g/mol:

569.134225

ΔHf, kcal/mol:

-64.18

Dipole, Da:

5.27

IP(EA), eV:

 -9.54(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(5R,6S,7S)-2-[hydroxy(phenylmethoxy)methylidene]-3-methyl-7-[1-[(4-nitrophenyl)methoxycarbonyloxy]propyl]-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-3-ene-4-diazonium

Drug info:

PubChemData

Smile

C1CC(CCC1COC2CCC(CC2)C=CC#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations