Geometry & MOs

Info

ID:	85426
PubChem CID:	49875027
Reduced:	N2S2F3O3H11C15 (1)
Stoich.:	A2B2C3D3E11F15 (1)
Weight, g/mol:	350.9041
ΔH_f, kcal/mol:	-184.54
Dipole, Da:	2.05
IP(EA), eV:	-8.89(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-[4-(dibromomethyl)pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)COC3=CSC(=C3)NS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations