Geometry & MOs

Info

ID:	207348
PubChem CID:	80384377
Reduced:	ClISF2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	283.095475
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	3.34
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(3,4-difluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)CC(C2=CSC(=C2)I)Cl)F

DOS

IR

Vibrations