Geometry & MOs

Info

ID:	178603
PubChem CID:	76355405
Reduced:	N5O6C24H39 (1)
Stoich.:	A5B6C24D39 (1)
Weight, g/mol:	471.199191
ΔH_f, kcal/mol:	-244.1
Dipole, Da:	8.73
IP(EA), eV:	-8.51(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CCC(=O)NC2=CC(=C(C(=C2)OC)OC)OC)CC(C)C)N

DOS

IR

Vibrations