Geometry & MOs

Info

ID:	37166
PubChem CID:	8017794
Reduced:	SN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	341.189889
ΔH_f, kcal/mol:	9.32
Dipole, Da:	7.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.364634
Charge, e:	1

Chem-info

IUPAC name:

[(4R)-4-[(4-acetylphenyl)sulfonylamino]pentyl]-diethylazanium

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

DOS

IR

Vibrations