Geometry & MOs

Info

ID:

411389

PubChem CID:

135084212

Reduced:

ON2H9C10 (1)

Stoich.:

AB2C9D10 (1)

Weight, g/mol:

279.075157

ΔHf, kcal/mol:

66.26

Dipole, Da:

2.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.982336

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-3-amino-2-(1,3-dithian-2-yl)-1-phenylbut-2-en-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations