Geometry & MOs

Info

ID:	147632
PubChem CID:	53787288
Reduced:	SC12O12H22 (1)
Stoich.:	AB12C12D22 (1)
Weight, g/mol:	390.083197
ΔH_f, kcal/mol:	-541.13
Dipole, Da:	3.17
IP(EA), eV:	-10.17(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl] (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanethioate

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@H](C(=O)SC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations