Geometry & MOs

Info

ID:	78172
PubChem CID:	49681761
Reduced:	ClSN3O3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	425.138483
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	3.95
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3)Cl

DOS

IR

Vibrations