Geometry & MOs

Info

ID:	83686
PubChem CID:	49860090
Reduced:	ClSBr2N4C14H19 (1)
Stoich.:	ABC2D4E14F19 (1)
Weight, g/mol:	449.99114
ΔH_f, kcal/mol:	8.96
Dipole, Da:	5.09
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-imidazol-5-yl)propyl N'-[(4-methylphenyl)methyl]carbamimidothioate;dihydrobromide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN=C(N)SCCCC2=CN=CN2)Cl.Br.Br

DOS

IR

Vibrations