Geometry & MOs

Info

ID:	415002
PubChem CID:	135087982
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	329.111936
ΔH_f, kcal/mol:	8.36
Dipole, Da:	2.4
IP(EA), eV:	-9.33(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(5-ethylthiophen-2-yl)sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=NC(=NO3)C4=CC=CO4

DOS

IR

Vibrations