Geometry & MOs

Info

ID:	141836
PubChem CID:	52936218
Reduced:	BrNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	578.054161
ΔH_f, kcal/mol:	-130.29
Dipole, Da:	1.0
IP(EA), eV:	-9.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[9-[(3,5-difluorophenyl)methyl]-7-fluoro-2,4-dioxoquinolizin-3-ylidene]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H](CC1=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations