Geometry & MOs

Info

ID:	192442
PubChem CID:	78269261
Reduced:	FN3O5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	467.12366
ΔH_f, kcal/mol:	-219.61
Dipole, Da:	5.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753141
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-morpholin-4-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)C)N)C(=O)COC(=O)C2(CCCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations