Geometry & MOs

Info

ID:	288007
PubChem CID:	104307123
Reduced:	ClSN3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	295.090997
ΔH_f, kcal/mol:	57.31
Dipole, Da:	4.72
IP(EA), eV:	-8.88(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloropropyl)phenyl]-3-propyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=NN=CS2)CCCCl

DOS

IR

Vibrations