Geometry & MOs

Info

ID:	347166
PubChem CID:	127271707
Reduced:	S2N4O4C15H20 (1)
Stoich.:	A2B4C4D15E20 (1)
Weight, g/mol:	377.115775
ΔH_f, kcal/mol:	-104.36
Dipole, Da:	12.46
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NS(=O)(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations