Geometry & MOs

Info

ID:	37837
PubChem CID:	8025008
Reduced:	N5C22H39 (1)
Stoich.:	A5B22C39 (1)
Weight, g/mol:	391.169154
ΔH_f, kcal/mol:	123.33
Dipole, Da:	3.21
IP(EA), eV:	-6.24(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(diethylsulfamoyl)phenyl]methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)azanium

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[NH+]1CCC[NH2+]CC2=C(N(C(=C2)C)C3=CC=NN3C(C)C)C

DOS

IR

Vibrations