Geometry & MOs

Info

ID:	345507
PubChem CID:	127269807
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-162.06
Dipole, Da:	5.23
IP(EA), eV:	-9.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC(=O)NC3CCCNC3=O

DOS

IR

Vibrations