Geometry & MOs

Info

ID:	167709
PubChem CID:	74860847
Reduced:	SCl2N2O3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	495.191346
ΔH_f, kcal/mol:	-111.01
Dipole, Da:	2.99
IP(EA), eV:	-8.55(-1.26)
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-[methyl(propan-2-yl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)NC(N2)C(C)OC(=O)C=CC3=C(C=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations