Geometry & MOs

Info

ID:	204649
PubChem CID:	79993451
Reduced:	FNO5H12C14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	302.036128
ΔH_f, kcal/mol:	-188.17
Dipole, Da:	5.05
IP(EA), eV:	-9.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,3-benzothiazole-6-carbonylamino)methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(O2)C(=O)O)F

DOS

IR

Vibrations