Geometry & MOs

Info

ID:

159545

PubChem CID:

57288438

Reduced:

FN2O3C19H25 (1)

Stoich.:

AB2C3D19E25 (1)

Weight, g/mol:

725.09811

ΔHf, kcal/mol:

-199.7

Dipole, Da:

4.41

IP(EA), eV:

 -9.0(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-3-(chloromethyl)-7-[[2-(difluoromethoxyimino)-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC1=CC2=C(C=C1)C3CCCC3(C(=O)N2)F

DOS

IR

Vibrations