Geometry & MOs

Info

ID:	263244
PubChem CID:	103348841
Reduced:	S2N3O3C12H19 (1)
Stoich.:	A2B3C3D12E19 (1)
Weight, g/mol:	311.123838
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	5.37
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

C1CC(COC1)CNC2=C(C(=NS2)N)S(=O)(=O)C3CC3

DOS

IR

Vibrations