Geometry & MOs

Info

ID:

177040

PubChem CID:

76129046

Reduced:

PSiN5O9C50H58 (1)

Stoich.:

ABC5D9E50F58 (1)

Weight, g/mol:

647.080098

ΔHf, kcal/mol:

-304.52

Dipole, Da:

6.35

IP(EA), eV:

 -8.7(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[(2-formamido-[1,3]thiazolo[4,5-b]pyridin-4-ium-4-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)OC(C1C(CC(O1)N2C=NC3C2NC(NC3=O)N)OP(=O)(CC[Si](C)(C4=CC=CC=C4)C5=CC=CC=C5)O)C(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC

DOS

IR

Vibrations