Geometry & MOs

Info

ID:	170826
PubChem CID:	75284850
Reduced:	SF3N3O3H14C20 (1)
Stoich.:	AB3C3D3E14F20 (1)
Weight, g/mol:	445.090784
ΔH_f, kcal/mol:	-183.32
Dipole, Da:	6.34
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations