Geometry & MOs

Info

ID:	352834
PubChem CID:	127283924
Reduced:	SN3O3C15H31 (1)
Stoich.:	AB3C3D15E31 (1)
Weight, g/mol:	391.131425
ΔH_f, kcal/mol:	-144.36
Dipole, Da:	3.65
IP(EA), eV:	-8.78(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COCCN1CCNS(=O)(=O)N(C)C2CCCCC2)C

DOS

IR

Vibrations