Geometry & MOs

Info

ID:	44690
PubChem CID:	10505394
Reduced:	PN3O10C19H28 (1)
Stoich.:	AB3C10D19E28 (1)
Weight, g/mol:	495.088949
ΔH_f, kcal/mol:	-461.45
Dipole, Da:	11.92
IP(EA), eV:	-9.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-methyl 3-O-(4-nitrophenyl) 6-(methoxymethyl)-2-oxo-4-(3,4,5-trifluorophenyl)-1,4-dihydropyrimidine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCCCCCCN)COP(=O)(O)OCC(=O)O)O

DOS

IR

Vibrations