Geometry & MOs

Info

ID:	371281
PubChem CID:	127344677
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	353.206304
ΔH_f, kcal/mol:	-52.49
Dipole, Da:	3.19
IP(EA), eV:	-8.69(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1CSCCN1C(=O)NC2CCC=CC2

DOS

IR

Vibrations