Geometry & MOs

Info

ID:	319936
PubChem CID:	126657627
Reduced:	SN2O2F3H15C19 (1)
Stoich.:	AB2C2D3E15F19 (1)
Weight, g/mol:	317.201574
ΔH_f, kcal/mol:	-149.66
Dipole, Da:	6.54
IP(EA), eV:	-8.99(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,3Z)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-1-(methylideneamino)penta-1,3-diene-2,3-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC=C(N=C2C3=CC=C(C=C3)C)OS(=O)C(F)(F)F

DOS

IR

Vibrations