Geometry & MOs

Info

ID:

181040

PubChem CID:

76715552

Reduced:

SN3O4C24H29 (2)

Stoich.:

AB3C4D24E29 (2)

Weight, g/mol:

693.234257

ΔHf, kcal/mol:

-221.5

Dipole, Da:

1.94

IP(EA), eV:

 -7.97(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-N-cyclopropylsulfonyl-14-[(4-fluorophenyl)methyl]-2,15-dioxo-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)NC6=CC=C(C=C6)NC(=O)C)C(=O)NS(=O)(=O)C7(CC7)C)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations