Geometry & MOs

Info

ID:	50647
PubChem CID:	12013212
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	334.163637
ΔH_f, kcal/mol:	-16.46
Dipole, Da:	4.28
IP(EA), eV:	-9.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-5-hydroxy-6-methylheptan-3-yl] 4-(1,3-dithian-2-yl)butanoate

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@H]2CO[C@H]3[C@@]24[C@@H]1C(=O)C=C4CC3

DOS

IR

Vibrations