Geometry & MOs

Info

ID:	369829
PubChem CID:	127336206
Reduced:	S2N3O3C16H27 (1)
Stoich.:	A2B3C3D16E27 (1)
Weight, g/mol:	385.149384
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	4.28
IP(EA), eV:	-9.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC2CCN(CC2)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations