Geometry & MOs

Info

ID:

181126

PubChem CID:

76715638

Reduced:

FSN4O9C37H43 (1)

Stoich.:

ABC4D9E37F43 (1)

Weight, g/mol:

701.293485

ΔHf, kcal/mol:

-369.76

Dipole, Da:

7.06

IP(EA), eV:

 -9.57(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=C(C4)C(=CC=C5)F)C(=O)NS(=O)(=O)C6=CC=CC=C6OCC(=O)N

DOS

IR

Vibrations