Geometry & MOs

Info

ID:	175565
PubChem CID:	75921783
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	418.192629
ΔH_f, kcal/mol:	42.25
Dipole, Da:	2.79
IP(EA), eV:	-9.46(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C=CC(=O)C2=CC=CC(=C2)C#N)C

DOS

IR

Vibrations