Geometry & MOs

Info

ID:

145196

PubChem CID:

53476896

Reduced:

NO10C40H61 (1)

Stoich.:

AB10C40D61 (1)

Weight, g/mol:

671.403332

ΔHf, kcal/mol:

-403.52

Dipole, Da:

7.44

IP(EA), eV:

 -8.82(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6R,14R,15S,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl] 2-[2-(2-ethoxyethoxy)ethoxy]ethyl carbonate

Drug info:

PubChemData

Smile

CCOCCOCCOCCOCCOC(=O)OC1=C2C3=C(C[C@@H]4C56C3(CCN4CC7CC7)[C@@H](O2)[C@](CC5)([C@H](C6)[C@@](C)(C(C)(C)C)O)OC)C=C1

DOS

IR

Vibrations