Geometry & MOs

Info

ID:

164152

PubChem CID:

74382101

Reduced:

SO5N6C36H44 (1)

Stoich.:

AB5C6D36E44 (1)

Weight, g/mol:

501.080396

ΔHf, kcal/mol:

-147.13

Dipole, Da:

5.45

IP(EA), eV:

 -8.34(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-ethylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4)NC5=CC=C(C=C5)N6CCN(CC6)C

DOS

IR

Vibrations