Geometry & MOs

Info

ID:

229631

PubChem CID:

87568247

Reduced:

N2O2C93H154 (1)

Stoich.:

A2B2C93D154 (1)

Weight, g/mol:

495.215806

ΔHf, kcal/mol:

-249.02

Dipole, Da:

4.61

IP(EA), eV:

 -7.6(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3-[4-[(E)-3-(cyclopropylamino)-2-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoylamino]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC(=C(C=C1)CCCCCCCCCCCC)/C=C/C2=CC=C(N2CCCCCCCCCCCC)/C=C/C3=C(C=C(C(=C3)OCCCCCCCC)/C=C\C4=CC=C(N4CCCCCCCCCCCC)/C=C/C)OCCCCCCCC

DOS

IR

Vibrations