Geometry & MOs

Info

ID:	69068
PubChem CID:	46517467
Reduced:	SN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	401.11757
ΔH_f, kcal/mol:	3.11
Dipole, Da:	2.58
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)NC(C)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations