Geometry & MOs

Info

ID:

181117

PubChem CID:

76715629

Reduced:

S2N6O7C47H54 (1)

Stoich.:

A2B6C7D47E54 (1)

Weight, g/mol:

641.234176

ΔHf, kcal/mol:

-145.89

Dipole, Da:

6.93

IP(EA), eV:

 -8.66(-1.11)

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]oxypyrrolidin-2-yl]-2-oxoethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=CC=C(C=C6)C#N)C(=O)NS(=O)(=O)C7(CC7)C)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations