Geometry & MOs

Info

ID:

181173

PubChem CID:

76715686

Reduced:

FS2N4O7C47H55 (1)

Stoich.:

AB2C4D7E47F55 (1)

Weight, g/mol:

767.16984

ΔHf, kcal/mol:

-229.12

Dipole, Da:

10.58

IP(EA), eV:

 -8.38(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=CC=C6)F)C(=O)NS(=O)(=O)C7(CC7)C)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations