Geometry & MOs

Info

ID:	407685
PubChem CID:	135080436
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	234.111208
ΔH_f, kcal/mol:	-6.88
Dipole, Da:	2.59
IP(EA), eV:	-9.95(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-heptyl-1,3-dithiane 1-oxide

Drug info:

PubChemData

Smile

CC1C(CC(C1C(=O)C=C)C=C)C=C

DOS

IR

Vibrations