Geometry & MOs

Info

ID:	178611
PubChem CID:	76356225
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	452.16306
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	5.97
IP(EA), eV:	-9.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCCCC2N(C1=O)CC(=O)N(CC=C)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations