Geometry & MOs

Info

ID:

232448

PubChem CID:

87576205

Reduced:

ClSN3C17H19 (1)

Stoich.:

ABC3D17E19 (1)

Weight, g/mol:

214.102521

ΔHf, kcal/mol:

86.33

Dipole, Da:

7.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.830111

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCN(CCCSC1=CC=CC=C1)C2=CC(=C(C=C2)[N+]#N)Cl

DOS

IR

Vibrations