Geometry & MOs

Info

ID:	435417
PubChem CID:	135191403
Reduced:	ClSC13H29 (1)
Stoich.:	ABC13D29 (1)
Weight, g/mol:	348.172545
ΔH_f, kcal/mol:	-67.36
Dipole, Da:	7.2
IP(EA), eV:	-8.15(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,6R)-2-[5-(azulen-2-ylmethyl)-2-hydroxyphenyl]-6-methyloxan-4-ol

Drug info:

PubChemData

Smile

CCCCCCCC(CC)CS(C)(C)Cl

DOS

IR

Vibrations