Geometry & MOs

Info

ID:	159198
PubChem CID:	57264362
Reduced:	NSCl2O2H7C8 (1)
Stoich.:	ABC2D2E7F8 (1)
Weight, g/mol:	308.217387
ΔH_f, kcal/mol:	-62.12
Dipole, Da:	4.21
IP(EA), eV:	-9.32(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tridecylsulfanylphenol

Drug info:

PubChemData

Smile

C1=C(C=C(N=C1Cl)Cl)C(=O)OCCS

DOS

IR

Vibrations