Geometry & MOs

Info

ID:	272345
PubChem CID:	103740071
Reduced:	SF2N2O3H6C11 (1)
Stoich.:	AB2C2D3E6F11 (1)
Weight, g/mol:	233.181336
ΔH_f, kcal/mol:	-77.37
Dipole, Da:	4.86
IP(EA), eV:	-8.85(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(diethylamino)ethylsulfanyl]hexan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1[N+](=O)[O-])F)C(=O)NC2=CSC=C2)F

DOS

IR

Vibrations