Geometry & MOs

Info

ID:	234038
PubChem CID:	92297582
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	546.204925
ΔH_f, kcal/mol:	-75.01
Dipole, Da:	3.18
IP(EA), eV:	-9.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-N-[(1R)-2-(2-methoxyethylamino)-2-oxo-1-quinolin-6-ylethyl]-5-N-[2-(3-methylphenyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CO1)CN2C=CC(=NC2=O)OC

DOS

IR

Vibrations