Geometry & MOs

Info

ID:	33247
PubChem CID:	7885632
Reduced:	N2O5C21H30 (1)
Stoich.:	A2B5C21D30 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-228.28
Dipole, Da:	4.4
IP(EA), eV:	-9.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@@H](C)C(=O)NC2CCCC2

DOS

IR

Vibrations