Geometry & MOs

Info

ID:

170438

PubChem CID:

75233066

Reduced:

S2N5O12H25C27 (1)

Stoich.:

A2B5C12D25E27 (1)

Weight, g/mol:

559.083155

ΔHf, kcal/mol:

-392.03

Dipole, Da:

7.85

IP(EA), eV:

 -9.62(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=NC(=CC=C3)C(=O)NC4C5N(C4=O)C(=C(CS5)COC(=O)C)C(=O)O)SC1)C(=O)O

DOS

IR

Vibrations