Geometry & MOs

Info

ID:	166845
PubChem CID:	74742616
Reduced:	SN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	468.177562
ΔH_f, kcal/mol:	-32.0
Dipole, Da:	5.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.122786
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-amino-2,4-dioxo-1-propyl-1,3-diazinan-5-yl)-butylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1C2C(CC3=CC=CC=C23)NS(=O)(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations