Geometry & MOs

Info

ID:	50648
PubChem CID:	12013213
Reduced:	S2O3C16H30 (1)
Stoich.:	A2B3C16D30 (1)
Weight, g/mol:	320.147987
ΔH_f, kcal/mol:	-188.71
Dipole, Da:	1.0
IP(EA), eV:	-8.56(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C[C@@H](C(C)C)O)OC(=O)CCCC1SCCCS1

DOS

IR

Vibrations