Geometry & MOs

Info

ID:	70132
PubChem CID:	47208066
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-55.74
Dipole, Da:	4.92
IP(EA), eV:	-9.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-oxo-2-(propylamino)ethyl]sulfonylmethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C(C)S(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations