Geometry & MOs

Info

ID:

14996

PubChem CID:

426444

Reduced:

NS2C27H54 (1)

Stoich.:

AB2C27D54 (1)

Weight, g/mol:

456.369768

ΔHf, kcal/mol:

-21.08

Dipole, Da:

3.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.870148

Charge, e:

 1

Chem-info

IUPAC name:

1,3-dithiolan-2-ylidene(didodecyl)azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](=C1SCCS1)CCCCCCCCCCCC

DOS

IR

Vibrations