Geometry & MOs

Info

ID:

425281

PubChem CID:

135125793

Reduced:

SF2O3N4C24H26 (1)

Stoich.:

AB2C3D4E24F26 (1)

Weight, g/mol:

517.139545

ΔHf, kcal/mol:

-104.57

Dipole, Da:

9.35

IP(EA), eV:

 -9.04(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[[2-methoxyethyl(methyl)carbamoyl]amino]-1,3-thiazol-5-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC#CC(C)OC1=NC=C(N=C1)/C(=C/C2=CC(=C(C=C2)F)C3(CS(=O)(=O)C(C(=N3)N)(C)C)C)/F

DOS

IR

Vibrations