Geometry & MOs

Info

ID:	125801
PubChem CID:	50939120
Reduced:	ClN2O2F3H10C14 (1)
Stoich.:	AB2C2D3E10F14 (1)
Weight, g/mol:	510.302301
ΔH_f, kcal/mol:	-166.72
Dipole, Da:	7.51
IP(EA), eV:	-9.1(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,1,2,2-tetradeuterio-4-[(5,6-diphenylpyrazin-2-yl)-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)amino]butoxy]-N-(trideuteriomethylsulfonyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)NN/C=C\2/C=CC(=O)C=C2O)Cl

DOS

IR

Vibrations