Geometry & MOs

Info

ID:	73675
PubChem CID:	48419774
Reduced:	Cl2N3O3C17H17 (1)
Stoich.:	A2B3C3D17E17 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	3.2
IP(EA), eV:	-8.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylphenoxy)butyl]-2-(4-nitrophenyl)sulfinylacetamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC(=O)C(=O)NNC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations