Geometry & MOs

Info

ID:

328887

PubChem CID:

126728770

Reduced:

ClNO4C26H34 (1)

Stoich.:

ABC4D26E34 (1)

Weight, g/mol:

578.300539

ΔHf, kcal/mol:

-87.27

Dipole, Da:

5.01

IP(EA), eV:

 -7.14(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-[3-[(4Z)-4-(1-aminoethylidene)-5-methylimino-3-(2-methyl-4-phenoxyphenyl)-2-oxoimidazolidin-1-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]but-2-enamide

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C=C3C=CC=CC3=C2COC(=O)NCCOCCOCCCCCCCl

DOS

IR

Vibrations