Geometry & MOs

Info

ID:	315057
PubChem CID:	126624301
Reduced:	NO4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	248.090472
ΔH_f, kcal/mol:	-214.45
Dipole, Da:	3.93
IP(EA), eV:	-9.97(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(3R)-3-methyldithiolan-3-yl]pentanoate

Drug info:

PubChemData

Smile

CC(C)C(=O)CCNC(=O)[C@@H](C(C)(C)CO)O

DOS

IR

Vibrations