Geometry & MOs

Info

ID:	368176
PubChem CID:	127327727
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-31.75
Dipole, Da:	3.31
IP(EA), eV:	-9.18(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CS(=O)(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations