Geometry & MOs

Info

ID:	170827
PubChem CID:	75284851
Reduced:	SF2N3O4H17C21 (1)
Stoich.:	AB2C3D4E17F21 (1)
Weight, g/mol:	449.041246
ΔH_f, kcal/mol:	-166.4
Dipole, Da:	3.74
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations