Geometry & MOs

Info

ID:	269276
PubChem CID:	103616683
Reduced:	N2O2F3C12H17 (1)
Stoich.:	A2B2C3D12E17 (1)
Weight, g/mol:	244.030649
ΔH_f, kcal/mol:	-236.7
Dipole, Da:	6.27
IP(EA), eV:	-10.37(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C#N)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations