Geometry & MOs

Info

ID:

7555

PubChem CID:

73370

Reduced:

NO13C40H51 (1)

Stoich.:

AB13C40D51 (1)

Weight, g/mol:

753.336041

ΔHf, kcal/mol:

-538.19

Dipole, Da:

6.25

IP(EA), eV:

 -8.63(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (11R,13R,14R,15R,16R,17R,18S,19S)-2-acetyloxy-12,14,16,18,28-pentahydroxy-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

C[C@@H]1C=CC=C(C(=O)NC2=C(C(=C3C(=C(C(=C4C3=C(C(=C[C@@H]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H](C1O)C)O)C(=O)OC)O)C)O)C)C)OCO4)C)O)C2=O)OC(=O)C)C)C

DOS

IR

Vibrations