Geometry & MOs

Info

ID:

170437

PubChem CID:

75233065

Reduced:

SN2O5C13H13 (2)

Stoich.:

AB2C5D13E13 (2)

Weight, g/mol:

675.094114

ΔHf, kcal/mol:

-305.06

Dipole, Da:

10.87

IP(EA), eV:

 -9.71(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-[[6-[[3-(acetyloxymethyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]carbamoyl]pyridine-2-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(C=C3)C(=O)NC4C5N(C4=O)C(=C(CS5)COC)C(=O)O)SC1)C(=O)O

DOS

IR

Vibrations