Geometry & MOs

Info

ID:	139468
PubChem CID:	52537356
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	427.109897
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	4.43
IP(EA), eV:	-9.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)[C@@H](C3CCCC3)NC(=O)C

DOS

IR

Vibrations