Geometry & MOs

Info

ID:	33585
PubChem CID:	7887083
Reduced:	OS2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	350.01537
ΔH_f, kcal/mol:	61.77
Dipole, Da:	2.38
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenoxy)-1-(2,5-dimethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N(CC#N)C3=CC=CC=C3)C

DOS

IR

Vibrations