Geometry & MOs

Info

ID:	170837
PubChem CID:	75285227
Reduced:	FSCl2N3O3H14C20 (1)
Stoich.:	ABC2D3E3F14G20 (1)
Weight, g/mol:	465.011696
ΔH_f, kcal/mol:	-112.28
Dipole, Da:	2.92
IP(EA), eV:	-9.25(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-fluorophenyl)-2-[3-(3-chlorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C(=O)C3C(C=CS3)N(C2=O)CC(=O)NC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations