Geometry & MOs

Info

ID:	187303
PubChem CID:	77556642
Reduced:	N2O5C25H26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	283.075253
ΔH_f, kcal/mol:	-161.26
Dipole, Da:	5.07
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 1-ethyl-3,6-dimethyl-2,4-dioxo-4aH-thieno[2,3-d]pyrimidin-1-ium-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CCC3=CC(=CC=C3)CC(=O)N4CCCC4OC(=O)O

DOS

IR

Vibrations