Geometry & MOs

Info

ID:	161578
PubChem CID:	57392037
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	447.106434
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	5.17
IP(EA), eV:	-9.37(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-difluorophenyl)methyl]-5-(1,1-dioxothiazinan-2-yl)-8-hydroxyquinoline-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=CN=N2)C3=CC(=CC(=C3)O)O)O

DOS

IR

Vibrations