Geometry & MOs

Info

ID:	209020
PubChem CID:	80614783
Reduced:	SO2N6C9H14 (1)
Stoich.:	AB2C6D9E14 (1)
Weight, g/mol:	301.00134
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	3.83
IP(EA), eV:	-9.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylsulfonylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)CN1CC2=NN=C(S2)NN)C

DOS

IR

Vibrations