Geometry & MOs

Info

ID:	323143
PubChem CID:	126672886
Reduced:	FSN4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	421.120861
ΔH_f, kcal/mol:	2.88
Dipole, Da:	1.37
IP(EA), eV:	-8.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1,3-benzodioxol-5-yl(methyl)amino]imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2(CNC3N2N=C(S3)N)C4=CC(=CC=C4)F

DOS

IR

Vibrations