Geometry & MOs

Info

ID:	64772
PubChem CID:	29203979
Reduced:	ClSN2O4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-128.01
Dipole, Da:	6.5
IP(EA), eV:	-9.63(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-(methylsulfonylmethyl)benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(C)OC

DOS

IR

Vibrations