Geometry & MOs

Info

ID:	29103
PubChem CID:	831648
Reduced:	OSN3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	65.34
Dipole, Da:	3.65
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=C3)C

DOS

IR

Vibrations