Geometry & MOs

Info

ID:	368851
PubChem CID:	127330799
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-92.54
Dipole, Da:	1.42
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]urea

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations