Geometry & MOs

Info

ID:

191350

PubChem CID:

78135914

Reduced:

SN4O4F6C22H22 (1)

Stoich.:

AB4C4D6E22F22 (1)

Weight, g/mol:

738.388017

ΔHf, kcal/mol:

-432.54

Dipole, Da:

15.49

IP(EA), eV:

 -9.53(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] N-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyl]carbamate

Drug info:

PubChemData

Smile

CC12C(CCCC3=C1C=C(C=C3)C4=CN=CN=C4)CSC(=N2)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations