Geometry & MOs

Info

ID:	165603
PubChem CID:	74574373
Reduced:	OSN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	336.129634
ΔH_f, kcal/mol:	19.91
Dipole, Da:	2.77
IP(EA), eV:	-8.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-5-(4-methylphenyl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2NC3C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations