Geometry & MOs

Info

ID:

324666

PubChem CID:

126678101

Reduced:

SN5H31C51 (1)

Stoich.:

AB5C31D51 (1)

Weight, g/mol:

398.231791

ΔHf, kcal/mol:

272.91

Dipole, Da:

2.11

IP(EA), eV:

 -8.09(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,3E)-2-ethylidene-N-hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]-propylamino]-5-methylhexa-3,5-dienamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C6=CC7=C(C=C64)N(C8=C7C=C9C1=CC=CC=C1SC9=C8)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations