Geometry & MOs

Info

ID:	170824
PubChem CID:	75284818
Reduced:	FSN3O4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	441.115855
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	4.37
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2C3C=CSC3C(=O)N(C2=O)C4=CC=CC=C4F

DOS

IR

Vibrations