Geometry & MOs

Info

ID:

179484

PubChem CID:

76489331

Reduced:

O2S2N3C28H41 (1)

Stoich.:

A2B2C3D28E41 (1)

Weight, g/mol:

773.062831

ΔHf, kcal/mol:

-59.63

Dipole, Da:

0.92

IP(EA), eV:

 -8.67(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-[carboxy-(3,4,5-trihydroxyphenyl)methoxy]iminoacetyl]amino]-3-[(2-carboxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CSCC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C(CCCCCN)C(=O)C(CS)N

DOS

IR

Vibrations