Geometry & MOs

Info

ID:

177001

PubChem CID:

76123902

Reduced:

OF2C30H50 (1)

Stoich.:

AB2C30D50 (1)

Weight, g/mol:

479.05694

ΔHf, kcal/mol:

-227.03

Dipole, Da:

3.56

IP(EA), eV:

 -10.01(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-[(2-oxooxolan-3-ylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4CC=C(F)F)O)C)C

DOS

IR

Vibrations