Geometry & MOs

Info

ID:	78160
PubChem CID:	49681746
Reduced:	ClSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	409.102704
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	1.93
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3)Cl

DOS

IR

Vibrations