Geometry & MOs

Info

ID:	369926
PubChem CID:	127336772
Reduced:	SN3O4C17H31 (1)
Stoich.:	AB3C4D17E31 (1)
Weight, g/mol:	363.198048
ΔH_f, kcal/mol:	-186.53
Dipole, Da:	1.72
IP(EA), eV:	-8.71(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1-oxo-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1C(CNC(=O)NCC2(CCSC2)N3CCOCC3)O

DOS

IR

Vibrations