Geometry & MOs

Info

ID:	416831
PubChem CID:	135090505
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	343.100892
ΔH_f, kcal/mol:	-123.46
Dipole, Da:	2.41
IP(EA), eV:	-9.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(3-chloro-4-methylphenyl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations