Geometry & MOs

Info

ID:

383104

PubChem CID:

134974646

Reduced:

NOS2H20C22 (1)

Stoich.:

ABC2D20E22 (1)

Weight, g/mol:

309.118735

ΔHf, kcal/mol:

79.44

Dipole, Da:

3.21

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.832620

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C[C@]2([C@@H]1C3=CC=CC=C3N=[S+]2(C4=CC=CC=C4)O)SC5=CC=CC=C5

DOS

IR

Vibrations