Geometry & MOs

Info

ID:	234158
PubChem CID:	92297838
Reduced:	N2O4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	532.169288
ΔH_f, kcal/mol:	-42.29
Dipole, Da:	2.89
IP(EA), eV:	-8.64(-0.57)
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-(3-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1/C=C(/C3=CC=CC=C3OC)\OC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations