Geometry & MOs

Info

ID:

146917

PubChem CID:

53771412

Reduced:

F7C44H61 (1)

Stoich.:

A7B44C61 (1)

Weight, g/mol:

582.088592

ΔHf, kcal/mol:

-424.94

Dipole, Da:

4.04

IP(EA), eV:

 -9.55(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[ethoxycarbonyl(methyl)hydrazinylidene]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)C2CCC(CC2)CCC3=CC=C(C=C3)C(F)(F)F.CC1CCC(CC1)C2CCC(CC2)CCC3=CC(=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations