Geometry & MOs

Info

ID:

428140

PubChem CID:

135166201

Reduced:

NH7C11 (5)

Stoich.:

AB7C11 (5)

Weight, g/mol:

948.391049

ΔHf, kcal/mol:

294.83

Dipole, Da:

2.88

IP(EA), eV:

 -8.01(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-[2-[[2-[6-[(2E)-2-[[3-[3,4-dihydroxy-5-methoxy-6-(methoxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinyl]methyl]-4,5-dihydroxy-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxan-2-yl]methoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=CC=CC=C6C7=C5C8=C(C=C7)N(C9=CC=CC=C98)C1=CC(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations