Geometry & MOs

Info

ID:	170581
PubChem CID:	75256208
Reduced:	FSN3O5H18C22 (1)
Stoich.:	ABC3D5E18F22 (1)
Weight, g/mol:	487.101348
ΔH_f, kcal/mol:	-168.37
Dipole, Da:	3.5
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[3-(3,5-difluorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4C(C=CS4)N(C3=O)CC(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations