Geometry & MOs

Info

ID:	310389
PubChem CID:	126579650
Reduced:	BrIN2O3H8C11 (1)
Stoich.:	ABC2D3E8F11 (1)
Weight, g/mol:	316.008469
ΔH_f, kcal/mol:	18.12
Dipole, Da:	3.33
IP(EA), eV:	-9.31(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(fluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)I)COC2=NN(C=C2)O)C(=O)Br

DOS

IR

Vibrations