Geometry & MOs

Info

ID:	368281
PubChem CID:	127327865
Reduced:	F2O2N3C16H21 (1)
Stoich.:	A2B2C3D16E21 (1)
Weight, g/mol:	377.180684
ΔH_f, kcal/mol:	-142.39
Dipole, Da:	3.17
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NC2CC2C3=C(C=CC=C3F)F

DOS

IR

Vibrations