Geometry & MOs

Info

ID:	134589
PubChem CID:	51718013
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	336.111494
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	6.73
IP(EA), eV:	-9.43(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(2-chlorobenzoyl)-1,3-dimethyl-2,6-dioxopyrimidin-4-yl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)[C@H]3CCCO3

DOS

IR

Vibrations