Geometry & MOs

Info

ID:	35308
PubChem CID:	7979663
Reduced:	ClSN2O6C13H15 (1)
Stoich.:	ABC2D6E13F15 (1)
Weight, g/mol:	362.033935
ΔH_f, kcal/mol:	-165.69
Dipole, Da:	8.87
IP(EA), eV:	-10.09(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@]1(CCS(=O)(=O)C1)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations