Geometry & MOs

Info

ID:	47306
PubChem CID:	10531366
Reduced:	F3N4O6H27C29 (1)
Stoich.:	A3B4C6D27E29 (1)
Weight, g/mol:	584.146466
ΔH_f, kcal/mol:	-337.53
Dipole, Da:	4.94
IP(EA), eV:	-8.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(5-benzoyl-3-cyano-4-methylpyridin-2-yl)sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC2=C(C1=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations