Geometry & MOs

Info

ID:	223812
PubChem CID:	85335610
Reduced:	NO8H29C34 (1)
Stoich.:	AB8C29D34 (1)
Weight, g/mol:	579.256706
ΔH_f, kcal/mol:	-202.57
Dipole, Da:	3.15
IP(EA), eV:	-8.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-3-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6C(=O)C7=CC=CC=C7

DOS

IR

Vibrations