Geometry & MOs

Info

ID:	263577
PubChem CID:	103379731
Reduced:	OSF3N4C12H19 (1)
Stoich.:	ABC3D4E12F19 (1)
Weight, g/mol:	320.134068
ΔH_f, kcal/mol:	-194.48
Dipole, Da:	6.36
IP(EA), eV:	-8.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[2-(dimethylamino)ethyl]-5-N-(2-methylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CCCN(CC(F)(F)F)C1=C(C(=NS1)N)C(=O)NC(C)C

DOS

IR

Vibrations