Geometry & MOs

Info

ID:	234259
PubChem CID:	92298038
Reduced:	ON6H20C24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	528.19436
ΔH_f, kcal/mol:	141.76
Dipole, Da:	7.81
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C(/C#N)\C4=NN(C(=C4C#N)N)CCO

DOS

IR

Vibrations