Geometry & MOs

Info

ID:

176681

PubChem CID:

76082148

Reduced:

C27H44 (1)

Stoich.:

A27B44 (1)

Weight, g/mol:

547.089206

ΔHf, kcal/mol:

-35.64

Dipole, Da:

0.28

IP(EA), eV:

 -9.82(2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C#CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C

DOS

IR

Vibrations