Geometry & MOs

Info

ID:	346755
PubChem CID:	127271259
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	398.235162
ΔH_f, kcal/mol:	-60.85
Dipole, Da:	4.5
IP(EA), eV:	-8.55(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(CC2)CNC(=O)NCC3(CCSC3)N4CCOCC4

DOS

IR

Vibrations