Geometry & MOs

Info

ID:	448072
PubChem CID:	135288219
Reduced:	FSN8H15C21 (1)
Stoich.:	ABC8D15E21 (1)
Weight, g/mol:	529.04961
ΔH_f, kcal/mol:	177.09
Dipole, Da:	4.75
IP(EA), eV:	-8.6(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-3,5-diacetyloxy-6-bromo-4-[4-(4-fluorophenyl)triazol-1-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C=CN=C(C5=N4)C6=CC=C(S6)F

DOS

IR

Vibrations