Geometry & MOs

Info

ID:	392837
PubChem CID:	135018144
Reduced:	ClNOH14C21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	728.198621
ΔH_f, kcal/mol:	74.3
Dipole, Da:	5.91
IP(EA), eV:	-9.07(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3,4,5-triacetyloxy-6-[(3R,6S)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-phenylsulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations