Geometry & MOs

Info

ID:

181133

PubChem CID:

76715645

Reduced:

FS2N3O6C38H44 (1)

Stoich.:

AB2C3D6E38F44 (1)

Weight, g/mol:

483.182792

ΔHf, kcal/mol:

-205.73

Dipole, Da:

4.36

IP(EA), eV:

 -9.2(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-1-[2-(4-isoquinolin-1-yloxypyrrolidin-2-yl)-2-oxoethyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations