Geometry & MOs

Info

ID:	396508
PubChem CID:	135028602
Reduced:	NSiO5C16H31 (1)
Stoich.:	ABC5D16E31 (1)
Weight, g/mol:	325.098394
ΔH_f, kcal/mol:	-298.52
Dipole, Da:	1.37
IP(EA), eV:	-9.06(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,7R,10S)-10-(benzenesulfonyl)-4,4-dimethyl-3,5,8-trioxa-11-azatricyclo[5.3.1.02,6]undecane

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H]3[C@H]([C@@H](O[C@H]([C@H]2O1)N3)CO)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations