Geometry & MOs

Info

ID:	263186
PubChem CID:	103344166
Reduced:	BrClFOC12H13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	342.064275
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	1.69
IP(EA), eV:	-10.03(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

Drug info:

PubChemData

Smile

CC(=O)C(CCCl)CC1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations