Geometry & MOs

Info

ID:	22646
PubChem CID:	598200
Reduced:	BrS2N3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	300.9343
ΔH_f, kcal/mol:	82.79
Dipole, Da:	3.02
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CSC2=NN=C(S2)N

DOS

IR

Vibrations