Geometry & MOs

Info

ID:	29657
PubChem CID:	836217
Reduced:	N3O5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	272.061949
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	3.86
IP(EA), eV:	-8.58(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@@H](NC(=O)N1C)C2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

DOS

IR

Vibrations