Geometry & MOs

Info

ID:	338400
PubChem CID:	127259092
Reduced:	FNBr2O3H8C9 (1)
Stoich.:	ABC2D3E8F9 (1)
Weight, g/mol:	339.85913
ΔH_f, kcal/mol:	-138.43
Dipole, Da:	2.55
IP(EA), eV:	-9.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dibromophenyl)sulfanylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=NC(=C(C=C1Br)Br)F

DOS

IR

Vibrations