Geometry & MOs

Info

ID:

387564

PubChem CID:

134985886

Reduced:

SO2N3C10H10 (1)

Stoich.:

AB2C3D10E10 (1)

Weight, g/mol:

261.118735

ΔHf, kcal/mol:

22.31

Dipole, Da:

4.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.829048

Charge, e:

 0

Chem-info

IUPAC name:

2-(phenylsulfanyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC(=O)CN/C(=C\[N+]#N)/O

DOS

IR

Vibrations