Geometry & MOs

Info

ID:	42467
PubChem CID:	8149586
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	313.194974
ΔH_f, kcal/mol:	-17.84
Dipole, Da:	1.57
IP(EA), eV:	-7.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2,4-dimethylphenyl)sulfonylamino]ethyl-di(propan-2-yl)azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations