Geometry & MOs

Info

ID:

44779

PubChem CID:

10505924

Reduced:

BrS2N3O3C21H26 (1)

Stoich.:

AB2C3D3E21F26 (1)

Weight, g/mol:

512.215866

ΔHf, kcal/mol:

-79.7

Dipole, Da:

6.94

IP(EA), eV:

 -8.43(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z,4Z)-N-[(E)-3-[(9E,12Z)-11,19-dihydroxy-8,12-dimethyl-2,6-dioxo-3,7-dioxabicyclo[13.4.0]nonadeca-1(15),9,12,16,18-pentaen-4-yl]prop-1-enyl]-4-methoxyiminobut-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C)SC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations