Geometry & MOs

Info

ID:	421094
PubChem CID:	135115376
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	401.142757
ΔH_f, kcal/mol:	25.8
Dipole, Da:	2.78
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=NN=C(O2)C3=CC=CC=C3)OCC4=CC=CC=N4

DOS

IR

Vibrations