Geometry & MOs

Info

ID:	46298
PubChem CID:	10523782
Reduced:	NSO4C20H29 (1)
Stoich.:	ABC4D20E29 (1)
Weight, g/mol:	379.18173
ΔH_f, kcal/mol:	-110.25
Dipole, Da:	4.02
IP(EA), eV:	-8.45(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,5'R,6'R)-6'-(benzenesulfonyl)-6'-butyl-8'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]

Drug info:

PubChemData

Smile

CCC(COCC1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CS2)N(C)C

DOS

IR

Vibrations