Geometry & MOs

Info

ID:	62716
PubChem CID:	26736300
Reduced:	SF2O2N4H20C24 (1)
Stoich.:	AB2C2D4E20F24 (1)
Weight, g/mol:	451.102434
ΔH_f, kcal/mol:	-49.03
Dipole, Da:	6.87
IP(EA), eV:	-8.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=CC=C4F

DOS

IR

Vibrations