Geometry & MOs

Info

ID:	448547
PubChem CID:	135291756
Reduced:	N2O3C12H22 (1)
Stoich.:	A2B3C12D22 (1)
Weight, g/mol:	355.83525
ΔH_f, kcal/mol:	-163.67
Dipole, Da:	2.35
IP(EA), eV:	-9.36(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-iodoethyl)-1,2,4,5,7-pentathiocane

Drug info:

PubChemData

Smile

CC(C)OC1CCN(CC1)C(=O)CNC(=O)C

DOS

IR

Vibrations