Geometry & MOs

Info

ID:

445518

PubChem CID:

135267606

Reduced:

FN3O4C32H36 (1)

Stoich.:

AB3C4D32E36 (1)

Weight, g/mol:

515.294806

ΔHf, kcal/mol:

-57.9

Dipole, Da:

3.15

IP(EA), eV:

 -7.94(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z,5E)-5-(1,2-dihydropyrrol-3-ylidene)-4-[2-[6-[(2,2-dimethylpropylamino)methyl]cyclohepta-1,3,6-trien-1-yl]propylidene]-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C(=C/CC1=C2C(=COC(=C(C(=C1)C)C(=O)NC)C3=CC=C(C=C3)F)C=CN2)\C(=O)NCC4(CCC4)CO

DOS

IR

Vibrations