Geometry & MOs

Info

ID:	186264
PubChem CID:	77413395
Reduced:	SN2Na2O3C14H14 (1)
Stoich.:	AB2C2D3E14F14 (1)
Weight, g/mol:	624.108915
ΔH_f, kcal/mol:	-1.01
Dipole, Da:	25.74
IP(EA), eV:	-4.03(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;5-methyl-4-oxo-6-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)NC(N2)C(=O)O)C3=CC=CC=C3.[Na].[Na]

DOS

IR

Vibrations