Geometry & MOs

Info

ID:

181217

PubChem CID:

76715943

Reduced:

SN3O7C46H51 (1)

Stoich.:

AB3C7D46E51 (1)

Weight, g/mol:

675.31085

ΔHf, kcal/mol:

-166.32

Dipole, Da:

9.98

IP(EA), eV:

 -9.22(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=CC(=NC6=C5C=CC(=C6)OC)C7=CC=CC=C7)CC8=CC=CC=C8

DOS

IR

Vibrations