Geometry & MOs

Info

ID:

323996

PubChem CID:

126676739

Reduced:

ClN3O5C39H58 (1)

Stoich.:

AB3C5D39E58 (1)

Weight, g/mol:

597.36972

ΔHf, kcal/mol:

-208.54

Dipole, Da:

5.19

IP(EA), eV:

 -8.89(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[[3-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]oxiran-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCCOC1=CC(=C(C=C1C(=O)NCCN(CC)CC)Cl)NC(=O)C

DOS

IR

Vibrations