Geometry & MOs

Info

ID:	132040
PubChem CID:	51298066
Reduced:	ClSN2O4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	-129.87
Dipole, Da:	4.43
IP(EA), eV:	-9.14(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-(3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC)C(=O)NCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations