Geometry & MOs

Info

ID:	344773
PubChem CID:	127268361
Reduced:	N2S2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	389.133065
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	5.48
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-tert-butylphenoxy)ethyl]-1,1-dioxothiane-4-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CS2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations