Geometry & MOs

Info

ID:	78158
PubChem CID:	49681744
Reduced:	ClSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	405.127776
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	3.24
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NCC2=CC=C(C=C2)Cl)CC3=CSC=C3

DOS

IR

Vibrations