Geometry & MOs

Info

ID:	429617
PubChem CID:	135169666
Reduced:	ClFSO2N4H10C13 (1)
Stoich.:	ABCD2E4F10G13 (1)
Weight, g/mol:	493.078946
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	2.91
IP(EA), eV:	-8.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-2-(aminomethylidene)-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluoro-3-(8-fluoroimidazo[1,2-a]pyridin-5-yl)iminobutanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1N=C(S2)N)F)OCC3=NC(=NC=C3)Cl

DOS

IR

Vibrations