Geometry & MOs

Info

ID:	226991
PubChem CID:	87559451
Reduced:	INSC11H24 (1)
Stoich.:	ABCD11E24 (1)
Weight, g/mol:	516.91141
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	2.38
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-[2-[[2-chloro-3-(2,2-dibromoethenyl)phenoxy]methyl]phenyl]-2-methoxyiminoacetate

Drug info:

PubChemData

Smile

C(CCCCCN)CCCCC(S)I

DOS

IR

Vibrations