Geometry & MOs

Info

ID:

32255

PubChem CID:

6436196

Reduced:

N4O13C51H64 (1)

Stoich.:

A4B13C51D64 (1)

Weight, g/mol:

827.336435

ΔHf, kcal/mol:

-207.33

Dipole, Da:

22.88

IP(EA), eV:

 -8.5(-2.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (7E,9Z,11S,13S,20E)-2,16-diacetyloxy-11,12,14,18,19,28-hexahydroxy-3,7,11,13,17,19,21,27-octamethyl-6,31-dioxo-23,25-dioxa-5-azatetracyclo[20.7.1.14,29.026,30]hentriaconta-1,3,7,9,20,22(30),26,28-octaene-15-carboxylate

Drug info:

PubChemData

Smile

CCC(C)N1CCN(CC1)C2=CC(=C3C(=C2)OC/4=C(N3)C5=C6C(=C(C7=C5C(=O)[C@](O7)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)/N=C4/C6=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O

DOS

IR

Vibrations