Geometry & MOs

Info

ID:

326442

PubChem CID:

126687554

Reduced:

NSC18H19 (1)

Stoich.:

ABC18D19 (1)

Weight, g/mol:

616.414112

ΔHf, kcal/mol:

61.35

Dipole, Da:

1.57

IP(EA), eV:

 -8.31(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-2-tert-butyl-4-[(2E,5Z)-6-[2-[(3E,5E)-6-[(2E,4Z,6E)-6-tert-butylocta-2,4,6-trien-3-yl]oxyocta-1,3,5,7-tetraen-3-yl]-4-ethenyl-1H-imidazol-5-yl]-3-methyl-4-methylidenehexa-2,5-dienylidene]-5-methylidene-1H-imidazole

Drug info:

PubChemData

Smile

C1CC=CC(C1)N(C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations