Geometry & MOs

Info

ID:

151063

PubChem CID:

53790760

Reduced:

O3N4C21H22 (1)

Stoich.:

A3B4C21D22 (1)

Weight, g/mol:

561.95762

ΔHf, kcal/mol:

-37.33

Dipole, Da:

9.03

IP(EA), eV:

 -9.46(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N(C)[C@@H](CC2=CC=C(C=C2)N3C=CN=N3)C(=O)O)C

DOS

IR

Vibrations