Geometry & MOs

Info

ID:

40277

PubChem CID:

8143861

Reduced:

SO2N3C20H24 (1)

Stoich.:

AB2C3D20E24 (1)

Weight, g/mol:

322.131742

ΔHf, kcal/mol:

-13.9

Dipole, Da:

8.99

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.825483

Charge, e:

0

Chem-info

IUPAC name:

N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@H](C1)CCC[NH+]2CC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

DOS

IR

Vibrations