Geometry & MOs

Info

ID:

181041

PubChem CID:

76715553

Reduced:

FS2N3O6C36H40 (1)

Stoich.:

AB2C3D6E36F40 (1)

Weight, g/mol:

790.340021

ΔHf, kcal/mol:

-195.98

Dipole, Da:

0.84

IP(EA), eV:

 -9.11(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-cyclopropylsulfonyl-18-(6-methoxy-5-methyl-3-pyridin-2-ylisoquinolin-1-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC=C(C=C4)F)OC5=NC6=CC=CC=C6S5)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations