Geometry & MOs

Info

ID:	417779
PubChem CID:	135102758
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	387.127107
ΔH_f, kcal/mol:	2.64
Dipole, Da:	3.97
IP(EA), eV:	-9.09(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC2=CN=CN2CC3=CC=CC=C3

DOS

IR

Vibrations