Geometry & MOs

Info

ID:	234193
PubChem CID:	92297901
Reduced:	O3N6H10C17 (1)
Stoich.:	A3B6C10D17 (1)
Weight, g/mol:	546.184938
ΔH_f, kcal/mol:	134.23
Dipole, Da:	5.24
IP(EA), eV:	-9.52(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C(/C#N)\C3=C(C(=NN3)N)C#N

DOS

IR

Vibrations