Geometry & MOs

Info

ID:	165242
PubChem CID:	74520582
Reduced:	OS2N6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	441.065751
ΔH_f, kcal/mol:	70.51
Dipole, Da:	8.61
IP(EA), eV:	-9.14(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[5-[2-(5-benzamido-1,3,4-thiadiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)C(C)SC3=NN=NN3C(C)C)C

DOS

IR

Vibrations