Geometry & MOs

Info

ID:	338425
PubChem CID:	127259117
Reduced:	BrO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	259.95066
ΔH_f, kcal/mol:	1.99
Dipole, Da:	4.66
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)sulfanylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)O/C(=N/NC1=CC=C(C=C1)Br)/CC#N

DOS

IR

Vibrations