Geometry & MOs

Info

ID:

221772

PubChem CID:

85286128

Reduced:

NO5C40H45 (1)

Stoich.:

AB5C40D45 (1)

Weight, g/mol:

619.398522

ΔHf, kcal/mol:

-132.96

Dipole, Da:

1.71

IP(EA), eV:

 -9.21(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(1H-imidazol-5-yl)-2-[(1,2,14,20-tetramethyl-19-oxo-8-prop-1-en-2-yl-18-oxahexacyclo[11.10.0.02,10.05,9.014,21.017,20]tricosane-5-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(CC(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C)C3=CC=CO3)N=C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations