Geometry & MOs

Info

ID:	307783
PubChem CID:	125309172
Reduced:	ClO3N4H23C28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	564.014551
ΔH_f, kcal/mol:	53.67
Dipole, Da:	4.6
IP(EA), eV:	-8.92(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5S)-3,4-bis[(4-chlorobenzoyl)oxy]-5-hydroxyoxolan-2-yl]methyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3[C@H](C(=C(O[C@H]3N=N2)N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=CC=C5Cl

DOS

IR

Vibrations