Geometry & MOs

Info

ID:	419424
PubChem CID:	135108158
Reduced:	SN4O5C13H20 (1)
Stoich.:	AB4C5D13E20 (1)
Weight, g/mol:	313.10002
ΔH_f, kcal/mol:	-177.16
Dipole, Da:	6.72
IP(EA), eV:	-9.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CN2C=CC=NC2=O

DOS

IR

Vibrations