Geometry & MOs

Info

ID:	241032
PubChem CID:	93621267
Reduced:	SN3O5C15H15 (1)
Stoich.:	AB3C5D15E15 (1)
Weight, g/mol:	339.088892
ΔH_f, kcal/mol:	-139.52
Dipole, Da:	4.89
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl]piperazin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)NC3=C(C=CC=N3)O

DOS

IR

Vibrations