Geometry & MOs

Info

ID:	263360
PubChem CID:	103359154
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	340.99976
ΔH_f, kcal/mol:	38.61
Dipole, Da:	3.4
IP(EA), eV:	-8.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[(2-bromo-5-fluorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

C1CC1C2=C(SN=C2N)NCC3CC4=CC=CC=C4O3

DOS

IR

Vibrations