Geometry & MOs

Info

ID:	390160
PubChem CID:	134997444
Reduced:	OSC15H22 (1)
Stoich.:	ABC15D22 (1)
Weight, g/mol:	617.107338
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	3.26
IP(EA), eV:	-8.36(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@]1(CCC([C@@H]1CSC2=CC=CC=C2)(C)C)O

DOS

IR

Vibrations