Geometry & MOs

Info

ID:	230033
PubChem CID:	87569900
Reduced:	F2N2O4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	320.135863
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	2.27
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[(2-cyclohexyl-1,3-benzothiazol-5-yl)oxy]-3-fluorobut-2-en-1-amine

Drug info:

PubChemData

Smile

CC(=NOCC1=CC=CC=C1/C(=N\OC)/C(=O)OC)C2=CC=C(C=C2)C=C(F)F

DOS

IR

Vibrations