Geometry & MOs

Info

ID:	449027
PubChem CID:	135295350
Reduced:	OSF2N2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	406.193966
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	2.3
IP(EA), eV:	-8.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]-4-N,4-N-dipropylpyridine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)OC)NSC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations