Geometry & MOs

Info

ID:	78153
PubChem CID:	49681733
Reduced:	SF2O2N3C19H21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-121.81
Dipole, Da:	1.57
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-methoxy-5-methylphenyl)-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations