Geometry & MOs

Info

ID:	44202
PubChem CID:	10501998
Reduced:	ClSN5H14C22 (1)
Stoich.:	ABC5D14E22 (1)
Weight, g/mol:	415.99681
ΔH_f, kcal/mol:	167.87
Dipole, Da:	4.97
IP(EA), eV:	-8.62(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S)-3,4-diacetyloxy-6-hydroxy-5-iodooxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=C3C=CC=NC3=N2)C4=NNC(=S)N4C5=CC=CC=C5Cl

DOS

IR

Vibrations