Geometry & MOs

Info

ID:

141882

PubChem CID:

52945176

Reduced:

SO2F3N4C18H21 (1)

Stoich.:

AB2C3D4E18F21 (1)

Weight, g/mol:

461.171062

ΔHf, kcal/mol:

-218.35

Dipole, Da:

6.56

IP(EA), eV:

 -8.87(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-6-[(3Z)-3-ethoxyimino-4-[(E)-N'-methoxycarbamimidoyl]pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1C(=O)N)NC(=O)CN2C3=C(CCCC3)C(=N2)C(F)(F)F)C

DOS

IR

Vibrations