Geometry & MOs

Info

ID:	154131
PubChem CID:	56313521
Reduced:	FOSN5C26H28 (1)
Stoich.:	ABCD5E26F28 (1)
Weight, g/mol:	436.203193
ΔH_f, kcal/mol:	25.15
Dipole, Da:	4.5
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1,4-dimethylcyclohexyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCCN(CC4)CC5=CC=CC=C5F

DOS

IR

Vibrations