Geometry & MOs

Info

ID:

325220

PubChem CID:

126682099

Reduced:

NO7H25C27 (1)

Stoich.:

AB7C25D27 (1)

Weight, g/mol:

454.183875

ΔHf, kcal/mol:

-221.11

Dipole, Da:

5.86

IP(EA), eV:

 -8.68(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[[(1R,9R,13R)-4-hydroxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-methylamino]acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)NC)C(=O)O3)C5=C(O2)C=C(C=C5)OCOC(=O)C

DOS

IR

Vibrations