Geometry & MOs

Info

ID:	167027
PubChem CID:	74769109
Reduced:	N2O6H22C23 (1)
Stoich.:	A2B6C22D23 (1)
Weight, g/mol:	407.138916
ΔH_f, kcal/mol:	-152.68
Dipole, Da:	6.28
IP(EA), eV:	-9.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5H-pyrimidin-3-ium-5-yl]-2-oxoethyl] 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations