Geometry & MOs

Info

ID:	35450
PubChem CID:	7979885
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	-89.45
Dipole, Da:	6.99
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=CS3

DOS

IR

Vibrations