Geometry & MOs

Info

ID:

164614

PubChem CID:

74426714

Reduced:

ON4C21H25 (2)

Stoich.:

AB4C21D25 (2)

Weight, g/mol:

1122.561074

ΔHf, kcal/mol:

67.08

Dipole, Da:

2.57

IP(EA), eV:

 -9.08(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[10-hydroxy-15-[6-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyheptan-2-yl]-7,12,16-trimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methoxy]chromen-4-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)N=C(C1=CC=CC=C1)N=C(C2=CC=CC=C2)N(C)CCN(C)C(=NC(=NC(=O)N(CC)CC)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations