Geometry & MOs

Info

ID:

181058

PubChem CID:

76715570

Reduced:

SN3O8C30H39 (1)

Stoich.:

AB3C8D30E39 (1)

Weight, g/mol:

755.20286

ΔHf, kcal/mol:

-323.62

Dipole, Da:

9.55

IP(EA), eV:

 -8.83(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[(6-bromo-1,3-benzothiazol-2-yl)oxy]-14-[(3-methylphenyl)methyl]-2,15-dioxo-N-phenoxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)C)C(=O)NS(=O)(=O)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations