Geometry & MOs

Info

ID:	178277
PubChem CID:	76307725
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	392.145775
ΔH_f, kcal/mol:	-147.75
Dipole, Da:	3.7
IP(EA), eV:	-9.48(-1.07)
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-(3-hydroxy-4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

COC(=O)C=C1N(C(=O)CS1)CCCOC(=O)C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations