Geometry & MOs

Info

ID:	173264
PubChem CID:	75612557
Reduced:	BrFSN3O4C20H21 (1)
Stoich.:	ABCD3E4F20G21 (1)
Weight, g/mol:	483.252192
ΔH_f, kcal/mol:	-160.94
Dipole, Da:	4.02
IP(EA), eV:	-9.51(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzamidocyclohexyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations