Geometry & MOs

Info

ID:	249960
PubChem CID:	103093144
Reduced:	FNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	3.76
IP(EA), eV:	-8.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)F)/C)NC

DOS

IR

Vibrations