Geometry & MOs

Info

ID:	53538
PubChem CID:	14716526
Reduced:	OSC15H27 (2)
Stoich.:	ABC15D27 (2)
Weight, g/mol:	410.318481
ΔH_f, kcal/mol:	-172.61
Dipole, Da:	3.01
IP(EA), eV:	-8.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexadecyl-5-phenylbenzene-1,4-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC1=CC(=C(C=C1O)SCCCCCCCCCCCC)O

DOS

IR

Vibrations