Geometry & MOs

Info

ID:	399433
PubChem CID:	135040239
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	284.054087
ΔH_f, kcal/mol:	-109.35
Dipole, Da:	2.58
IP(EA), eV:	-9.59(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1,3-dithian-2-yl)-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC[C@H](C)C(=O)O[C@@H]1CCC(=C1)C

DOS

IR

Vibrations