Geometry & MOs

Info

ID:

50299

PubChem CID:

12012815

Reduced:

IOSN2H16C18 (1)

Stoich.:

ABCD2E16F18 (1)

Weight, g/mol:

244.985772

ΔHf, kcal/mol:

52.78

Dipole, Da:

6.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.761004

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[N+]1=C2N(C(C(CS2)I)C3=CC=CC=C3)C4=CC=CC=C4C1=O

DOS

IR

Vibrations