Geometry & MOs

Info

ID:	180669
PubChem CID:	76665789
Reduced:	SCl2N6H14C18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	471.16032
ΔH_f, kcal/mol:	140.21
Dipole, Da:	3.05
IP(EA), eV:	-9.15(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-3-[5-[2-(oxan-2-yl)-1H-1,2,4-triazol-2-ium-5-yl]-4-phenyl-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carbaldehyde

Drug info:

PubChemData

Smile

C1C(NNN1)C2=C(C(=C(S2)C3=CC(=NC=C3)N)C#N)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations