Geometry & MOs

Info

ID:

148361

PubChem CID:

53788023

Reduced:

O2H16C21 (1)

Stoich.:

A2B16C21 (1)

Weight, g/mol:

510.118475

ΔHf, kcal/mol:

2.52

Dipole, Da:

6.19

IP(EA), eV:

 -9.65(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-8-oxo-3-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations