Geometry & MOs

Info

ID:

181086

PubChem CID:

76715598

Reduced:

SF4N4O6C40H46 (1)

Stoich.:

AB4C4D6E40F46 (1)

Weight, g/mol:

746.317178

ΔHf, kcal/mol:

-377.18

Dipole, Da:

5.41

IP(EA), eV:

 -8.51(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-18-isoquinolin-1-yloxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC(=CC(=C6)F)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations