Geometry & MOs

Info

ID:

218891

PubChem CID:

85090122

Reduced:

O2F4N5H19C27 (1)

Stoich.:

A2B4C5D19E27 (1)

Weight, g/mol:

523.046769

ΔHf, kcal/mol:

-9.28

Dipole, Da:

9.19

IP(EA), eV:

 -9.07(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-carboxy-4-(carboxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-[[2-(furan-2-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CC=C1)C2=NC3=CC(=CC4=C3C2=CN=NC4=O)NC(=O)C5=C(C(=CC=C5)C(F)(F)F)F

DOS

IR

Vibrations