Geometry & MOs

Info

ID:

189561

PubChem CID:

77873793

Reduced:

NF2O5C27H27 (1)

Stoich.:

AB2C5D27E27 (1)

Weight, g/mol:

541.113056

ΔHf, kcal/mol:

-220.04

Dipole, Da:

3.87

IP(EA), eV:

 -9.32(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(methoxymethyl)-7-[[2-(naphthalen-2-ylamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1(C(C1(C=C(C(=O)OC(C)(C)C)F)C#N)(CC2=CC(=C(C=C2)F)OC3=CC=CC=C3)C(=O)O)C

DOS

IR

Vibrations