Geometry & MOs

Info

ID:	56135
PubChem CID:	17422152
Reduced:	SF3H5C8N8 (1)
Stoich.:	AB3C5D8E8 (1)
Weight, g/mol:	365.0375
ΔH_f, kcal/mol:	34.57
Dipole, Da:	4.48
IP(EA), eV:	-10.48(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(4-propylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SC2=NN3C(=NN=C3C(F)(F)F)C=C2

DOS

IR

Vibrations