Geometry & MOs

Info

ID:	127573
PubChem CID:	51007007
Reduced:	SiO4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	423.090722
ΔH_f, kcal/mol:	-202.27
Dipole, Da:	2.35
IP(EA), eV:	-8.65(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,3R,4R,5S)-3-chloro-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O[C@H]1[C@@H]2[C@@H](O2)[C@H]3CO[C@@H]1O3

DOS

IR

Vibrations