Geometry & MOs

Info

ID:	369822
PubChem CID:	127336199
Reduced:	SN3O3C17H27 (1)
Stoich.:	AB3C3D17E27 (1)
Weight, g/mol:	321.106851
ΔH_f, kcal/mol:	-113.27
Dipole, Da:	2.47
IP(EA), eV:	-9.38(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-(oxan-4-ylmethylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NC2CCN(CC2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations