Geometry & MOs

Info

ID:	141016
PubChem CID:	52802583
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	357.187484
ΔH_f, kcal/mol:	-112.1
Dipole, Da:	6.64
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylethyl)-3-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@H]2CN3CCCC3)OC

DOS

IR

Vibrations