Geometry & MOs

Info

ID:	142602
PubChem CID:	53064493
Reduced:	SO3N8C19H24 (1)
Stoich.:	AB3C8D19E24 (1)
Weight, g/mol:	459.146407
ΔH_f, kcal/mol:	1.75
Dipole, Da:	7.69
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(4-methoxybenzoyl)piperazin-1-yl]sulfonyl-2,6-dimethyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N(N=N2)CCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations