Geometry & MOs

Info

ID:	344869
PubChem CID:	127268629
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	-189.49
Dipole, Da:	6.26
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1CCCCC1OCCNS(=O)(=O)C2=CC=CC3=C2OCCO3

DOS

IR

Vibrations