Geometry & MOs

Info

ID:	62064
PubChem CID:	26717332
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	419.116732
ΔH_f, kcal/mol:	-56.83
Dipole, Da:	5.61
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations