Geometry & MOs

Info

ID:	147007
PubChem CID:	53777026
Reduced:	ClPSN5O7C35H63 (1)
Stoich.:	ABCD5E7F35G63 (1)
Weight, g/mol:	368.242356
ΔH_f, kcal/mol:	-415.97
Dipole, Da:	8.83
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-hydroxyethyl)piperazin-2-yl]-5-octyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSCC(COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)Cl)N)O)OCCCCCCCCCC

DOS

IR

Vibrations