Geometry & MOs

Info

ID:	65246
PubChem CID:	29204664
Reduced:	SN2F3O6C20H21 (1)
Stoich.:	AB2C3D6E20F21 (1)
Weight, g/mol:	474.107242
ΔH_f, kcal/mol:	-377.35
Dipole, Da:	7.71
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(2R)-4-methylsulfonyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations