Geometry & MOs

Info

ID:	67690
PubChem CID:	46506974
Reduced:	FS2N3O3H26C30 (1)
Stoich.:	AB2C3D3E26F30 (1)
Weight, g/mol:	559.139962
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	3.42
IP(EA), eV:	-8.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-ethoxyphenyl)-3-(4-ethylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=C(C=C(S3)C4=CC=CC=C4OCC)N=C2SCC(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations