Geometry & MOs

Info

ID:

161284

PubChem CID:

57391250

Reduced:

FO6N7C30H44 (1)

Stoich.:

AB6C7D30E44 (1)

Weight, g/mol:

401.149932

ΔHf, kcal/mol:

-332.49

Dipole, Da:

6.36

IP(EA), eV:

 -9.14(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-8-amino-7-fluoro-6-(3-imidazol-1-ylpropylamino)-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

CC1=CC=C(C=C1)CC(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CNC(=O)C2=C(C(=O)NC(=O)N2)F)N

DOS

IR

Vibrations