Geometry & MOs

Info

ID:	160532
PubChem CID:	57388948
Reduced:	FN6O6C28H35 (1)
Stoich.:	AB6C6D28E35 (1)
Weight, g/mol:	462.089484
ΔH_f, kcal/mol:	-255.09
Dipole, Da:	4.22
IP(EA), eV:	-9.5(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)sulfanylethyl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C2C(=O)C(=O)N3CC4(CCC(C3=N2)(CC4)NC(=O)C(=O)N(C)C)CCNC(=O)C)F

DOS

IR

Vibrations