Geometry & MOs

Info

ID:	429816
PubChem CID:	135169869
Reduced:	ClF3N9H17C23 (1)
Stoich.:	AB3C9D17E23 (1)
Weight, g/mol:	343.060232
ΔH_f, kcal/mol:	92.65
Dipole, Da:	6.77
IP(EA), eV:	-8.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-thieno[2,3-c]pyridin-4-yliminobutanoate

Drug info:

PubChemData

Smile

C=C(/C(=C/N)/C(=NC1=CC=CC2=C1C=CC=N2)C(F)(F)F)NC3=CC(=CN(N=C3)/N=C\C(=N)C#N)Cl

DOS

IR

Vibrations