Geometry & MOs

Info

ID:	358181
PubChem CID:	127295726
Reduced:	SO2N3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	369.237604
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	4.1
IP(EA), eV:	-9.22(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(1-morpholin-4-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations