Geometry & MOs

Info

ID:	263252
PubChem CID:	103349573
Reduced:	O2N3S3C11H13 (1)
Stoich.:	A2B3C3D11E13 (1)
Weight, g/mol:	296.112939
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	4.97
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(4-methylpentan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=C(SN=C2N)NCC3=CC=CS3

DOS

IR

Vibrations