Geometry & MOs

Info

ID:	351995
PubChem CID:	127282913
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	321.118084
ΔH_f, kcal/mol:	-123.78
Dipole, Da:	6.56
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methylsulfonylpiperidin-3-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2=CC(=CC=C2)NC(=O)C3CCCO3

DOS

IR

Vibrations