Geometry & MOs

Info

ID:	380268
PubChem CID:	134970665
Reduced:	NO7C24H29 (1)
Stoich.:	AB7C24D29 (1)
Weight, g/mol:	388.039893
ΔH_f, kcal/mol:	-271.11
Dipole, Da:	4.57
IP(EA), eV:	-9.69(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-4,5-diacetyloxy-6-isothiocyanato-2-(isothiocyanatomethyl)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(CO)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations