Geometry & MOs

Info

ID:	429901
PubChem CID:	135169955
Reduced:	ClSO2F3N6H16C22 (1)
Stoich.:	ABC2D3E6F16G22 (1)
Weight, g/mol:	313.049668
ΔH_f, kcal/mol:	-94.64
Dipole, Da:	3.46
IP(EA), eV:	-8.4(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(3-methylthieno[3,2-b]pyridin-7-yl)iminobutanal

Drug info:

PubChemData

Smile

C1CN(S(=O)C1)C2=C(C=C(C=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=NC=C5)C(F)(F)F)Cl

DOS

IR

Vibrations