Geometry & MOs

Info

ID:	369827
PubChem CID:	127336204
Reduced:	SO3N4C17H30 (1)
Stoich.:	AB3C4D17E30 (1)
Weight, g/mol:	388.160283
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	5.55
IP(EA), eV:	-9.09(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-5-[[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CNC2CCN(CC2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations