Geometry & MOs

Info

ID:

159558

PubChem CID:

57288452

Reduced:

N3O3C17H25 (1)

Stoich.:

A3B3C17D25 (1)

Weight, g/mol:

487.038703

ΔHf, kcal/mol:

-120.69

Dipole, Da:

5.3

IP(EA), eV:

 -9.18(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S)-3-(chloromethyl)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-propan-2-yloxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC([C@]1(C(=O)N)C(=O)OCC2=CC=CC=C2)N

DOS

IR

Vibrations