Geometry & MOs

Info

ID:

7653

PubChem CID:

73656

Reduced:

NO3C11H15 (4)

Stoich.:

AB3C11D15 (4)

Weight, g/mol:

836.420773

ΔHf, kcal/mol:

-425.22

Dipole, Da:

3.87

IP(EA), eV:

 -7.51(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,11S,12S,13R,14S,15S,16R,17R,18R)-26-[[(4-ethylpiperazin-1-yl)amino]methylidene]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,24,27-octaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)NC=C2C(=C3C4=C(C2=NC(=O)C(=CC=C[C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]([C@H]([C@H](C=CO[C@@]5(C(=O)C3=C(O5)C(=C4O)C)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O

DOS

IR

Vibrations