Geometry & MOs

Info

ID:	43807
PubChem CID:	10321816
Reduced:	OF4N4H20C24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	456.163162
ΔH_f, kcal/mol:	-152.11
Dipole, Da:	6.3
IP(EA), eV:	-8.77(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-3-acetyloxy-5-hydroxy-2-methyloxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=C(C(=CC=C2)F)C(F)(F)F)NC3=C(C=CC=N3)NC(=O)CCC#N

DOS

IR

Vibrations