Geometry & MOs

Info

ID:	345986
PubChem CID:	127270303
Reduced:	FS2N3O3C17H20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	395.08445
ΔH_f, kcal/mol:	-138.91
Dipole, Da:	8.98
IP(EA), eV:	-8.92(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-(morpholine-4-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC(C2)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations