Geometry & MOs

Info

ID:	380254
PubChem CID:	134970639
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	389.078052
ΔH_f, kcal/mol:	-104.69
Dipole, Da:	3.28
IP(EA), eV:	-9.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C=C(C(=O)OC1=CC=CC=C1)C(=O)OC2=CC=CC=C2

DOS

IR

Vibrations