Geometry & MOs

Info

ID:	53383
PubChem CID:	14711173
Reduced:	ClNOSe2H4C13 (2)
Stoich.:	ABCD2E4F13 (2)
Weight, g/mol:	411.16765
ΔH_f, kcal/mol:	392.25
Dipole, Da:	3.14
IP(EA), eV:	-8.16(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(2-phenylselanylcyclododecyl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C4=C5C(=CC=C6C5=C3[Se][Se]6)[Se][Se]4.C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N

DOS

IR

Vibrations