Geometry & MOs

Info

ID:	32067
PubChem CID:	4265949
Reduced:	BrN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	355.079076
ΔH_f, kcal/mol:	-14.46
Dipole, Da:	4.89
IP(EA), eV:	-8.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=NNC(=O)N)Br)OCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations