Geometry & MOs

Info

ID:

191351

PubChem CID:

78135915

Reduced:

NO4C22H27 (2)

Stoich.:

AB4C22D27 (2)

Weight, g/mol:

795.445866

ΔHf, kcal/mol:

-221.77

Dipole, Da:

8.77

IP(EA), eV:

 -8.77(-0.94)

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-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyl-methylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCNC(=O)OC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)OC

DOS

IR

Vibrations