Geometry & MOs

Info

ID:	350963
PubChem CID:	127279273
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	387.088892
ΔH_f, kcal/mol:	-185.84
Dipole, Da:	2.61
IP(EA), eV:	-8.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine

Drug info:

PubChemData

Smile

C1CCOC(C1)CS(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations