Geometry & MOs

Info

ID:	166865
PubChem CID:	74745650
Reduced:	FSO2N3C23H23 (1)
Stoich.:	ABC2D3E23F23 (1)
Weight, g/mol:	425.104542
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755034
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1C([NH+](CC2=CC=CC=C21)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)C(=O)N

DOS

IR

Vibrations