Geometry & MOs

Info

ID:	208946
PubChem CID:	80606635
Reduced:	ClN3S3H6C10 (1)
Stoich.:	AB3C3D6E10 (1)
Weight, g/mol:	268.081639
ΔH_f, kcal/mol:	105.09
Dipole, Da:	8.76
IP(EA), eV:	-9.02(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)SCC3=NN=C(S3)Cl

DOS

IR

Vibrations