Geometry & MOs

Info

ID:	36061
PubChem CID:	7980711
Reduced:	NSO5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-181.34
Dipole, Da:	7.82
IP(EA), eV:	-9.23(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations