Geometry & MOs

Info

ID:	429823
PubChem CID:	135169876
Reduced:	F2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	517.044789
ΔH_f, kcal/mol:	-13.42
Dipole, Da:	3.69
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-3-(7-cyanothieno[2,3-c]pyridin-4-yl)imino-4,4,4-trifluorobutanamide

Drug info:

PubChemData

Smile

CC(C(=NC1=C2CC=CC2=NC=C1)/C(=C\N)/C=C)(F)F

DOS

IR

Vibrations