Geometry & MOs

Info

ID:	369828
PubChem CID:	127336205
Reduced:	S2O3N4C16H28 (1)
Stoich.:	A2B3C4D16E28 (1)
Weight, g/mol:	373.149384
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	5.39
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(S1)CNC2CCN(CC2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations