Geometry & MOs

Info

ID:	175969
PubChem CID:	75976428
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	393.156767
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	10.25
IP(EA), eV:	-8.6(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-3-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC(=C3NN=C(O3)C(=O)N4CCCC4)N=C2)C

DOS

IR

Vibrations