Geometry & MOs

Info

ID:	67689
PubChem CID:	46506973
Reduced:	S2N3O3H31C32 (1)
Stoich.:	A2B3C3D31E32 (1)
Weight, g/mol:	559.139962
ΔH_f, kcal/mol:	-33.86
Dipole, Da:	6.4
IP(EA), eV:	-8.49(-0.88)
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-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)CC)SC(=C3)C5=CC=CC=C5OCC

DOS

IR

Vibrations