Geometry & MOs

Info

ID:

413904

PubChem CID:

135086855

Reduced:

BrN2C6H8 (1)

Stoich.:

AB2C6D8 (1)

Weight, g/mol:

355.099063

ΔHf, kcal/mol:

56.19

Dipole, Da:

6.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.796898

Charge, e:

 0

Chem-info

IUPAC name:

N-[(E)-(1-acetylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)N[NH3+]

DOS

IR

Vibrations