Geometry & MOs

Info

ID:	191285
PubChem CID:	78125542
Reduced:	BrSN5H16C22 (1)
Stoich.:	ABC5D16E22 (1)
Weight, g/mol:	541.07978
ΔH_f, kcal/mol:	177.65
Dipole, Da:	5.05
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloroquinolin-3-yl)methylideneamino]-4-[(4-methylphenyl)methylideneamino]-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2CC4=NNC(=S)N4N=CC5=CC=C(C=C5)Br

DOS

IR

Vibrations