Geometry & MOs

Info

ID:	170830
PubChem CID:	75285203
Reduced:	ClFSO3N4H22C24 (1)
Stoich.:	ABCD3E4F22G24 (1)
Weight, g/mol:	431.050668
ΔH_f, kcal/mol:	-89.07
Dipole, Da:	5.13
IP(EA), eV:	-8.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CN3C4C=CSC4C(=O)N(C3=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations