Geometry & MOs

Info

ID:	234134
PubChem CID:	92297798
Reduced:	ClO2N6C30H31 (1)
Stoich.:	AB2C6D30E31 (1)
Weight, g/mol:	528.19436
ΔH_f, kcal/mol:	51.78
Dipole, Da:	6.78
IP(EA), eV:	-9.22(-1.09)
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-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@H](C3=NN=NN3C4CCCCC4)N(CC5=CC=CC=C5Cl)CC6=CC=CO6

DOS

IR

Vibrations