Geometry & MOs

Info

ID:	364912
PubChem CID:	127316500
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	394.180504
ΔH_f, kcal/mol:	-129.27
Dipole, Da:	5.4
IP(EA), eV:	-8.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3=CC=CC=C3S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations