Geometry & MOs

Info

ID:	35352
PubChem CID:	7979740
Reduced:	ClSN3O6C16H16 (1)
Stoich.:	ABC3D6E16F16 (1)
Weight, g/mol:	335.05605
ΔH_f, kcal/mol:	-120.32
Dipole, Da:	6.41
IP(EA), eV:	-9.43(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(4-ethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations