Geometry & MOs

Info

ID:

181198

PubChem CID:

76715711

Reduced:

FSN4O6C39H45 (1)

Stoich.:

ABC4D6E39F45 (1)

Weight, g/mol:

671.335922

ΔHf, kcal/mol:

-205.44

Dipole, Da:

6.14

IP(EA), eV:

 -8.97(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC=CC6=CC=CC=C65)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations