Geometry & MOs

Info

ID:

181132

PubChem CID:

76715644

Reduced:

SN3O7C39H47 (1)

Stoich.:

AB3C7D39E47 (1)

Weight, g/mol:

721.265557

ΔHf, kcal/mol:

-206.83

Dipole, Da:

4.8

IP(EA), eV:

 -8.8(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC(=O)OC(C)(C)C)C(=O)NOC6=CC=CC=C6

DOS

IR

Vibrations