Geometry & MOs

Info

ID:	122861
PubChem CID:	50824672
Reduced:	SN4O5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	432.146741
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	1.22
IP(EA), eV:	-9.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-6-piperidin-1-ylsulfonyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC(=NO2)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations