Geometry & MOs

Info

ID:	192484
PubChem CID:	78274367
Reduced:	N5O5H25C26 (1)
Stoich.:	A5B5C25D26 (1)
Weight, g/mol:	433.091487
ΔH_f, kcal/mol:	-86.31
Dipole, Da:	2.82
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-amino-1,3-dimethyl-2,6-dioxo-5H-pyrimidin-3-ium-5-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C(C(C(=O)N(C1=O)C)C(=O)COC(=O)C=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)N

DOS

IR

Vibrations