Geometry & MOs

Info

ID:	272235
PubChem CID:	103736181
Reduced:	ClISN2O3C12H16 (1)
Stoich.:	ABCD2E3F12G16 (1)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	7.49
IP(EA), eV:	-9.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-hydroxyhexylsulfanyl)phenol

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)I)Cl)NS(=O)(=O)C

DOS

IR

Vibrations