Geometry & MOs

Info

ID:

445940

PubChem CID:

135269981

Reduced:

FO3N6C28H29 (1)

Stoich.:

AB3C6D28E29 (1)

Weight, g/mol:

543.295788

ΔHf, kcal/mol:

-31.59

Dipole, Da:

3.95

IP(EA), eV:

 -8.97(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(2E,4E)-5-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]-2-ethynylhexa-2,4-dienoyl]amino]ethyl]-N-propylcarbamate

Drug info:

PubChemData

Smile

CC(CCF)C(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)C4=CC=C(C=C4)CN[C@H]5CCOC5)N

DOS

IR

Vibrations