Geometry & MOs

Info

ID:

181063

PubChem CID:

76715575

Reduced:

BrFS2N3O6C37H41 (1)

Stoich.:

ABC2D3E6F37G41 (1)

Weight, g/mol:

669.282584

ΔHf, kcal/mol:

-199.78

Dipole, Da:

7.57

IP(EA), eV:

 -9.51(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1-ethylbenzimidazol-2-yl)oxy-14-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC6=C(S5)C=C(C=C6)Br)CC7=CC(=CC=C7)F

DOS

IR

Vibrations