Geometry & MOs

Info

ID:	20005
PubChem CID:	576648
Reduced:	O2S2C9H16 (1)
Stoich.:	A2B2C9D16 (1)
Weight, g/mol:	220.059172
ΔH_f, kcal/mol:	-114.11
Dipole, Da:	2.44
IP(EA), eV:	-9.02(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-methyl-1,3-dithiolan-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1(SCCS1)C

DOS

IR

Vibrations