Geometry & MOs

Info

ID:	160557
PubChem CID:	57389036
Reduced:	N2S2F3O4C19H21 (1)
Stoich.:	A2B2C3D4E19F21 (1)
Weight, g/mol:	444.096677
ΔH_f, kcal/mol:	-271.84
Dipole, Da:	6.44
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylpropanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCCSC1=CC=CC=C1OC)S(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations