Geometry & MOs

Info

ID:	382887
PubChem CID:	134974296
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	630.215985
ΔH_f, kcal/mol:	-131.61
Dipole, Da:	1.0
IP(EA), eV:	-9.81(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-4,5-diacetyloxy-6-[(3R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-prop-2-ynoxyoxan-3-yl]oxy-3-methyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CCC2(C(C1)CC3=C(O2)C(=O)C4=CC=CC=C4C3=O)O

DOS

IR

Vibrations