Geometry & MOs

Info

ID:	194779
PubChem CID:	78588608
Reduced:	SN2O6C19H24 (1)
Stoich.:	AB2C6D19E24 (1)
Weight, g/mol:	387.01062
ΔH_f, kcal/mol:	-208.62
Dipole, Da:	6.76
IP(EA), eV:	-9.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromophenyl)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C(C)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations