Geometry & MOs

Info

ID:	53491
PubChem CID:	14716357
Reduced:	SO6C20H34 (1)
Stoich.:	AB6C20D34 (1)
Weight, g/mol:	649.6274
ΔH_f, kcal/mol:	-273.43
Dipole, Da:	3.08
IP(EA), eV:	-9.01(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-octadecyl-3-octadecyliminoisoindol-1-amine

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)CCOCCOCCOS(=O)(=O)O

DOS

IR

Vibrations