Geometry & MOs

Info

ID:	177841
PubChem CID:	76240484
Reduced:	SO2N7C26H33 (1)
Stoich.:	AB2C7D26E33 (1)
Weight, g/mol:	460.26857
ΔH_f, kcal/mol:	4.19
Dipole, Da:	3.5
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C=CCN1C2NN=C(N2C3CCCCC3C1=O)SCC(=O)N4CCCC(C4)C5=NC6=CC=CC=C6N5

DOS

IR

Vibrations