Geometry & MOs

Info

ID:

164069

PubChem CID:

74381749

Reduced:

SO3F4N4H20C25 (1)

Stoich.:

AB3C4D4E20F25 (1)

Weight, g/mol:

523.064746

ΔHf, kcal/mol:

-174.75

Dipole, Da:

4.98

IP(EA), eV:

 -8.71(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)C=CC2=C(N=C(C=C2)C(F)(F)F)NC3=CC=CC=C3)C#C

DOS

IR

Vibrations