Geometry & MOs

Info

ID:	194265
PubChem CID:	78505477
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	353.095989
ΔH_f, kcal/mol:	-162.45
Dipole, Da:	6.39
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations