Geometry & MOs

Info

ID:	422348
PubChem CID:	135117675
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	375.117415
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	1.96
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-9-(2,5-dimethylthiophen-3-yl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)CN3CC[C@]4(CCCN([C@@H]4C3)C)CO)C=CC=N2

DOS

IR

Vibrations