Geometry & MOs

Info

ID:	131712
PubChem CID:	51249115
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	353.16608
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	9.59
IP(EA), eV:	-8.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-tert-butylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=NC=C3

DOS

IR

Vibrations