Geometry & MOs

Info

ID:	366113
PubChem CID:	127319474
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	346.192629
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	8.76
IP(EA), eV:	-8.64(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-N-(1,1-dioxothian-3-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CSCC1=NC2=CC=CC=C2N1CC(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations