Geometry & MOs

Info

ID:	136948
PubChem CID:	52128198
Reduced:	ClNSO4C22H28 (1)
Stoich.:	ABCD4E22F28 (1)
Weight, g/mol:	395.095807
ΔH_f, kcal/mol:	-157.62
Dipole, Da:	5.82
IP(EA), eV:	-9.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations