Geometry & MOs

Info

ID:	42355
PubChem CID:	8149468
Reduced:	SO3N4C19H36 (1)
Stoich.:	AB3C4D19E36 (1)
Weight, g/mol:	398.235162
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	4.47
IP(EA), eV:	-7.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[3-(dimethylamino)propylamino]propanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)[NH2+]CCC[NH+](C)C)C

DOS

IR

Vibrations