Geometry & MOs

Info

ID:

181145

PubChem CID:

76715657

Reduced:

FSN4O6C40H47 (1)

Stoich.:

ABC4D6E40F47 (1)

Weight, g/mol:

965.367891

ΔHf, kcal/mol:

-190.79

Dipole, Da:

5.64

IP(EA), eV:

 -8.49(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethenyl-1-[2-[4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-1-[2-[3-(trifluoromethoxy)anilino]non-8-enoyl]pyrrolidin-2-yl]-2-oxoethyl]-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C=C)CC(=O)C3CC(CN3C(=O)C(CCCCCC=C)NC4=CC(=CC=C4)F)OC5=NC=CC6=CC=CC=C65

DOS

IR

Vibrations