Geometry & MOs

Info

ID:

181127

PubChem CID:

76715639

Reduced:

FSN3O6C39H44 (1)

Stoich.:

ABC3D6E39F44 (1)

Weight, g/mol:

703.274979

ΔHf, kcal/mol:

-205.32

Dipole, Da:

5.75

IP(EA), eV:

 -9.15(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC=CC6=CC=CC=C65)C(=O)NS(=O)(=O)C7CC7)F

DOS

IR

Vibrations