Geometry & MOs

Info

ID:	42352
PubChem CID:	8149465
Reduced:	ClN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	400.250812
ΔH_f, kcal/mol:	-40.47
Dipole, Da:	4.37
IP(EA), eV:	-8.03(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=CC(=O)O2)CNC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations