Geometry & MOs

Info

ID:

181152

PubChem CID:

76715664

Reduced:

FSN4O6C43H49 (1)

Stoich.:

ABC4D6E43F49 (1)

Weight, g/mol:

831.391722

ΔHf, kcal/mol:

-199.76

Dipole, Da:

5.36

IP(EA), eV:

 -8.68(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-1-[2-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-[2-[(3-methylphenyl)methyl]non-8-enoyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)C(=O)O)F

DOS

IR

Vibrations