Geometry & MOs

Info

ID:	49571
PubChem CID:	11533286
Reduced:	ClPF2N3O4H17C22 (1)
Stoich.:	ABC2D3E4F17G22 (1)
Weight, g/mol:	491.151093
ΔH_f, kcal/mol:	-186.26
Dipole, Da:	6.81
IP(EA), eV:	-9.01(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-fluorophenyl)methyl 1-(1-hydroxy-3-methylbutan-2-yl)-7-(3-hydroxypropoxy)-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COP(=O)(C1=CC(=CC(=C1)F)F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=[N+](C=C4)[O-]

DOS

IR

Vibrations