Geometry & MOs

Info

ID:	305175
PubChem CID:	124767371
Reduced:	ClSN2O5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	432.193674
ΔH_f, kcal/mol:	-115.5
Dipole, Da:	2.88
IP(EA), eV:	-9.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4S,5S)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC[C@@]23C=C[C@@H](O2)[C@H]4[C@H]3C(=O)N(C4=O)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations