Geometry & MOs

Info

ID:

181182

PubChem CID:

76715695

Reduced:

SF2N2O5C34H36 (1)

Stoich.:

AB2C2D5E34F36 (1)

Weight, g/mol:

951.352241

ΔHf, kcal/mol:

-220.01

Dipole, Da:

7.42

IP(EA), eV:

 -9.35(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-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]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C12CC1C=CCCCCCC(C(=O)N3CC(CC3C(=O)C2)OC4=NC5=CC=CC=C5S4)CC6=CC(=C(C=C6)F)F

DOS

IR

Vibrations