Geometry & MOs

Info

ID:	78173
PubChem CID:	49681763
Reduced:	SO2F3N3C20H22 (1)
Stoich.:	AB2C3D3E20F22 (1)
Weight, g/mol:	425.138483
ΔH_f, kcal/mol:	-195.7
Dipole, Da:	5.17
IP(EA), eV:	-8.99(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NC2=CC=C(C=C2)C(F)(F)F)CC3=CSC=C3

DOS

IR

Vibrations