Geometry & MOs

Info

ID:

219320

PubChem CID:

85098738

Reduced:

SO9N10C34H64 (1)

Stoich.:

AB9C10D34E64 (1)

Weight, g/mol:

789.393556

ΔHf, kcal/mol:

-467.12

Dipole, Da:

9.78

IP(EA), eV:

 -8.99(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-10-[2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoyloxy]-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations