Geometry & MOs

Info

ID:	379757
PubChem CID:	134464789
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	358.196651
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	1.72
IP(EA), eV:	-9.38(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(3-ethyl-4-hydroxy-5-propylphenyl)sulfanyl-6-propylphenol

Drug info:

PubChemData

Smile

C=CC(=O)OC1CCC2=CC=CC=C12

DOS

IR

Vibrations