Geometry & MOs

Info

ID:

181120

PubChem CID:

76715632

Reduced:

FS2N3O7C38H44 (1)

Stoich.:

AB2C3D7E38F44 (1)

Weight, g/mol:

953.367891

ΔHf, kcal/mol:

-243.5

Dipole, Da:

12.31

IP(EA), eV:

 -8.97(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(dimethylsulfamoyl)-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)phenyl]methyl]non-8-enoyl]pyrrolidin-2-yl]-2-oxoethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC6=C(S5)C=C(C=C6)OC)CC7=CC(=CC=C7)F

DOS

IR

Vibrations