Geometry & MOs

Info

ID:	142387
PubChem CID:	53027649
Reduced:	SN3O7C21H27 (1)
Stoich.:	AB3C7D21E27 (1)
Weight, g/mol:	479.172621
ΔH_f, kcal/mol:	-269.98
Dipole, Da:	8.35
IP(EA), eV:	-9.26(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC3(CC2)OCCO3)S(=O)(=O)C4=CC5=C(C=C4)OCC(=O)N5

DOS

IR

Vibrations