Geometry & MOs

Info

ID:	42582
PubChem CID:	8149736
Reduced:	SO2N4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-60.63
Dipole, Da:	6.26
IP(EA), eV:	-9.13(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyanilino)methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)N[C@@H]3CN4CCC3CC4

DOS

IR

Vibrations