Geometry & MOs

Info

ID:

181144

PubChem CID:

76715656

Reduced:

SN4O6C39H48 (1)

Stoich.:

AB4C6D39E48 (1)

Weight, g/mol:

730.320035

ΔHf, kcal/mol:

-154.67

Dipole, Da:

7.12

IP(EA), eV:

 -9.02(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-1-[2-[1-[2-(3-fluoroanilino)non-8-enoyl]-4-isoquinolin-1-yloxypyrrolidin-2-yl]-2-oxoethyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC=CC=C6)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations