Geometry & MOs

Info

ID:	204344
PubChem CID:	79951205
Reduced:	OSN2C15H26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	230.134051
ΔH_f, kcal/mol:	-27.48
Dipole, Da:	2.5
IP(EA), eV:	-8.57(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[2-(oxolan-2-yl)ethyl]thian-3-ol

Drug info:

PubChemData

Smile

CC1(CCSCC1NCC(C2=CC=CO2)N(C)C)C

DOS

IR

Vibrations