Geometry & MOs

Info

ID:	39570
PubChem CID:	8141400
Reduced:	S2O3N4H14C19 (1)
Stoich.:	A2B3C4D14E19 (1)
Weight, g/mol:	411.071134
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	3.05
IP(EA), eV:	-8.81(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenoxy)-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

DOS

IR

Vibrations