Geometry & MOs

Info

ID:	209021
PubChem CID:	80614851
Reduced:	O2N3S3C10H11 (1)
Stoich.:	A2B3C3D10E11 (1)
Weight, g/mol:	301.92955
ΔH_f, kcal/mol:	-5.02
Dipole, Da:	2.09
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)SCC2=NN=C(S2)N

DOS

IR

Vibrations