Geometry & MOs

Info

ID:	200068
PubChem CID:	79342839
Reduced:	BrOSN6C12H13 (1)
Stoich.:	ABCD6E12F13 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	75.39
Dipole, Da:	7.14
IP(EA), eV:	-9.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNC1C2=CC(=C(C=C2NC1=O)SC3=NN=NN3C)Br

DOS

IR

Vibrations