Geometry & MOs

Info

ID:	429916
PubChem CID:	135169971
Reduced:	ISN5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	520.170051
ΔH_f, kcal/mol:	100.07
Dipole, Da:	4.23
IP(EA), eV:	-8.6(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4-difluoro-N-[5-phosphanyl-6-(triazol-2-yl)pyridin-3-yl]-3-(2-prop-1-en-2-ylquinolin-4-yl)iminopentanamide

Drug info:

PubChemData

Smile

C1CC(CCC1N)NC2=C3C=C(C=CC3=NC=C2)C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations