Geometry & MOs

Info

ID:	392303
PubChem CID:	135014369
Reduced:	N3O6C14H17 (1)
Stoich.:	A3B6C14D17 (1)
Weight, g/mol:	443.16925
ΔH_f, kcal/mol:	-225.58
Dipole, Da:	6.98
IP(EA), eV:	-9.53(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-benzoyloxy-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl]-4-oxo-1H-pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC2COC(=O)C3=C(C(=O)N=C1N23)O

DOS

IR

Vibrations