Geometry & MOs

Info

ID:	419224
PubChem CID:	135107766
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	343.100892
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	3.54
IP(EA), eV:	-9.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(4-chlorophenyl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CN(CCC1N[C@H]2COC[C@H]2CC3=CC=NC=C3)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations