Geometry & MOs

Info

ID:	142120
PubChem CID:	52985359
Reduced:	ClFN2O3C19H28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	413.104542
ΔH_f, kcal/mol:	-194.52
Dipole, Da:	5.62
IP(EA), eV:	-8.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-[(4-oxo-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl)sulfonyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)COC2=CC=C(C=C2)F)N3CCOCC3.Cl

DOS

IR

Vibrations