Geometry & MOs

Info

ID:	70108
PubChem CID:	47207764
Reduced:	SN2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-144.56
Dipole, Da:	2.42
IP(EA), eV:	-10.11(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-oxo-2-(propylamino)ethyl]sulfonylmethyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C(C)S(=O)(=O)CC1=NOC(=C1)C

DOS

IR

Vibrations