Geometry & MOs

Info

ID:	383212
PubChem CID:	134974803
Reduced:	SN5O10C39H49 (1)
Stoich.:	AB5C10D39E49 (1)
Weight, g/mol:	402.098453
ΔH_f, kcal/mol:	-380.12
Dipole, Da:	7.59
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS[C@@H]1C(C([C@@H](C(O1)CN2C=C(N=N2)CNC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations