Geometry & MOs

Info

ID:	309464
PubChem CID:	126546423
Reduced:	SF3N3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	476.196567
ΔH_f, kcal/mol:	-102.89
Dipole, Da:	3.78
IP(EA), eV:	-9.38(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S,6R)-2-[4-chloro-3-[(4-cyclohexylphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)C(N)N)C(F)(F)F

DOS

IR

Vibrations