Geometry & MOs

Info

ID:	42354
PubChem CID:	8149467
Reduced:	SO3N4C19H34 (1)
Stoich.:	AB3C4D19E34 (1)
Weight, g/mol:	400.250812
ΔH_f, kcal/mol:	-125.14
Dipole, Da:	4.93
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]azaniumyl]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@@H](C)NCCCN(C)C)C

DOS

IR

Vibrations