Geometry & MOs

Info

ID:	182267
PubChem CID:	76867580
Reduced:	ClN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	395.112605
ΔH_f, kcal/mol:	-81.52
Dipole, Da:	4.65
IP(EA), eV:	-9.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(4-methylphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C(C(NC(=O)C1C#N)C)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3Cl

DOS

IR

Vibrations