Geometry & MOs

Info

ID:	418519
PubChem CID:	135105488
Reduced:	NSO3C8H12 (2)
Stoich.:	ABC3D8E12 (2)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-234.52
Dipole, Da:	3.72
IP(EA), eV:	-9.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CC2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations