Geometry & MOs

Info

ID:	366941
PubChem CID:	127321927
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	4.07
IP(EA), eV:	-9.3(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC2(C1)CCC=CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations