Geometry & MOs

Info

ID:	192437
PubChem CID:	78268918
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	410.03516
ΔH_f, kcal/mol:	-116.59
Dipole, Da:	4.05
IP(EA), eV:	-9.15(-0.16)
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] 2-(4-bromophenyl)acetate

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)SCC(=O)NCC2=CC=CO2

DOS

IR

Vibrations