Geometry & MOs

Info

ID:	170825
PubChem CID:	75284819
Reduced:	FSN3O4H20C22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	433.070797
ΔH_f, kcal/mol:	-127.58
Dipole, Da:	3.22
IP(EA), eV:	-9.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations