Geometry & MOs

Info

ID:	140436
PubChem CID:	52697289
Reduced:	FSN3O4C19H30 (1)
Stoich.:	ABC3D4E19F30 (1)
Weight, g/mol:	403.149167
ΔH_f, kcal/mol:	-197.85
Dipole, Da:	4.26
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(4-fluorophenyl)-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)N(CCN(C)C)CC2=CC=CC=C2F

DOS

IR

Vibrations