Geometry & MOs

Info

ID:	78157
PubChem CID:	49681738
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	405.127776
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	1.2
IP(EA), eV:	-8.68(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3

DOS

IR

Vibrations