Geometry & MOs

Info

ID:	393738
PubChem CID:	135021578
Reduced:	O3C14H24 (1)
Stoich.:	A3B14C24 (1)
Weight, g/mol:	298.102751
ΔH_f, kcal/mol:	-156.57
Dipole, Da:	4.19
IP(EA), eV:	-9.72(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hex-5-ynyl-4,9-dihydrobenzo[f][2]benzothiole 2,2-dioxide

Drug info:

PubChemData

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C[C@]1([C@@H](CCC2[C@@H]3CC([C@H]3CC1O2)(C)C)O)O

DOS

IR

Vibrations