Geometry & MOs

Info

ID:	368444
PubChem CID:	127328698
Reduced:	SN2O3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-131.28
Dipole, Da:	4.65
IP(EA), eV:	-8.38(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetylpiperidin-4-yl)-3-[3-(cyclohexylsulfanylmethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)SCC2=CC(=CC=C2)NC(=O)NCC3COCCO3

DOS

IR

Vibrations