Geometry & MOs

Info

ID:

181153

PubChem CID:

76715665

Reduced:

SN3O7C49H57 (1)

Stoich.:

AB3C7D49E57 (1)

Weight, g/mol:

759.17778

ΔHf, kcal/mol:

-160.18

Dipole, Da:

4.59

IP(EA), eV:

 -8.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(CCCCCC=C)C(=O)N2CC(CC2C(=O)CC3(CC3C=C)C(=O)NS(=O)(=O)C4(CC4)C)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations