Geometry & MOs

Info

ID:

440663

PubChem CID:

135230857

Reduced:

F2N2O3C25H26 (1)

Stoich.:

A2B2C3D25E26 (1)

Weight, g/mol:

424.158706

ΔHf, kcal/mol:

-154.68

Dipole, Da:

4.35

IP(EA), eV:

 -8.37(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[(14R,25R)-12-fluoro-25-methyl-1,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-2,4,6,8(13),9,11,15(23),17,19,21-decaen-10-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(CN1CCC2=C(C1C3=C(C=C(C=C3F)/C=C/C(=O)O)OC)NC4=CC=CC=C24)F

DOS

IR

Vibrations