Geometry & MOs

Info

ID:	242818
PubChem CID:	99213173
Reduced:	SN2F3O4C20H21 (1)
Stoich.:	AB2C3D4E20F21 (1)
Weight, g/mol:	485.198442
ΔH_f, kcal/mol:	-225.34
Dipole, Da:	6.98
IP(EA), eV:	-9.89(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-2-[[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)C(F)(F)F)N(C2CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NOC

DOS

IR

Vibrations