Geometry & MOs

Info

ID:	48985
PubChem CID:	11528581
Reduced:	SN2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	208.128572
ΔH_f, kcal/mol:	1.94
Dipole, Da:	1.24
IP(EA), eV:	-8.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-heptylbenzenethiol

Drug info:

PubChemData

Smile

C1CCC2CC3=C(CC2C1)N=C(S3)N

DOS

IR

Vibrations