Geometry & MOs

Info

ID:

328586

PubChem CID:

126725757

Reduced:

NO4C25H49 (1)

Stoich.:

AB4C25D49 (1)

Weight, g/mol:

490.156243

ΔHf, kcal/mol:

-277.57

Dipole, Da:

0.78

IP(EA), eV:

 -9.53(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-7-(7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaen-12-yl)-1,3-benzothiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCN(CCCCCCCC)C(=O)OCCOC(=O)C(C)(C)CC

DOS

IR

Vibrations