Geometry & MOs

Info

ID:	234196
PubChem CID:	92297904
Reduced:	S2O3N6C26H26 (1)
Stoich.:	A2B3C6D26E26 (1)
Weight, g/mol:	546.184938
ΔH_f, kcal/mol:	-16.42
Dipole, Da:	5.02
IP(EA), eV:	-8.83(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=CS4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations