Geometry & MOs

Info

ID:	429539
PubChem CID:	135169588
Reduced:	ClSO2N5C14H14 (1)
Stoich.:	ABC2D5E14F14 (1)
Weight, g/mol:	560.112141
ΔH_f, kcal/mol:	6.0
Dipole, Da:	3.78
IP(EA), eV:	-8.3(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-chloro-6-[4-(2-methylsulfanylethyl)triazol-2-yl]pyridin-3-yl]-4,4,4-trifluoro-3-quinolin-5-yliminobutanamide

Drug info:

PubChemData

Smile

CNC1=NC2=C(S1)C(=C(C=C2OC)OCC3=NC(=NC=C3)N)Cl

DOS

IR

Vibrations