Geometry & MOs

Info

ID:	416906
PubChem CID:	135090749
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	343.127586
ΔH_f, kcal/mol:	-145.8
Dipole, Da:	7.46
IP(EA), eV:	-9.34(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(2,5-dimethylthiophen-3-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)C(=O)C2=CC=CC(=C2)C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations