Geometry & MOs

Info

ID:	204921
PubChem CID:	80032198
Reduced:	SC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	280.131943
ΔH_f, kcal/mol:	-10.25
Dipole, Da:	2.28
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-methylphenyl)sulfanylmethyl]cycloheptyl]methanethiol

Drug info:

PubChemData

Smile

CCC(CC)(CS)CSC1=CC=CC(=C1)C

DOS

IR

Vibrations