Geometry & MOs

Info

ID:	204989
PubChem CID:	80039660
Reduced:	S2C9H20 (1)
Stoich.:	A2B9C20 (1)
Weight, g/mol:	232.131943
ΔH_f, kcal/mol:	-37.09
Dipole, Da:	2.25
IP(EA), eV:	-8.65(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(propan-2-ylsulfanylmethyl)cycloheptyl]methanethiol

Drug info:

PubChemData

Smile

CCCSCC(CS)C(C)C

DOS

IR

Vibrations