Geometry & MOs

Info

ID:	43293
PubChem CID:	10320821
Reduced:	FN2O4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	436.155574
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	10.36
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5S,6S)-3-hydroxy-6-methoxy-5-methyl-4-phenylmethoxyoxan-2-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC(=CC(=C3)C(=O)O)F)OC4CCCC4

DOS

IR

Vibrations