Geometry & MOs

Info

ID:	358154
PubChem CID:	127295699
Reduced:	ClSO2N3C18H26 (1)
Stoich.:	ABC2D3E18F26 (1)
Weight, g/mol:	381.27399
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	3.06
IP(EA), eV:	-9.43(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCC3=CC=C(S3)Cl

DOS

IR

Vibrations