Geometry & MOs

Info

ID:	372827
PubChem CID:	131305544
Reduced:	ClSN3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	239.028396
ΔH_f, kcal/mol:	60.81
Dipole, Da:	4.53
IP(EA), eV:	-9.51(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NS2)CCN)Cl

DOS

IR

Vibrations