Geometry & MOs

Info

ID:	335809
PubChem CID:	127254671
Reduced:	OSN6C10H14 (1)
Stoich.:	ABC6D10E14 (1)
Weight, g/mol:	365.092417
ΔH_f, kcal/mol:	58.98
Dipole, Da:	5.52
IP(EA), eV:	-9.46(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-N-(3-methyl-4-oxo-1,2,3-benzotriazin-6-yl)-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=NC=CS1)N2C=NN=N2

DOS

IR

Vibrations