Geometry & MOs

Info

ID:	150137
PubChem CID:	53789824
Reduced:	SO2N3F7H16C24 (1)
Stoich.:	AB2C3D7E16F24 (1)
Weight, g/mol:	412.091535
ΔH_f, kcal/mol:	-350.94
Dipole, Da:	6.15
IP(EA), eV:	-9.2(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-5-methyl-3-(3-methylsulfonylphenyl)-4H-thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CN1C(=C(C2=C(C1=O)N=CS2)C3=CC=C(C=C3)F)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations