Geometry & MOs

Info

ID:

307375

PubChem CID:

125299728

Reduced:

OSN3C20H33 (1)

Stoich.:

ABC3D20E33 (1)

Weight, g/mol:

806.410209

ΔHf, kcal/mol:

1.85

Dipole, Da:

6.49

IP(EA), eV:

 -8.84(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,9Z,11R,12S,13S,14S,15S,16S,18R,19Z,21Z)-2,15,29-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methylpiperazin-1-yl)amino]methylidene]-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N\NC(=S)N)/C[C@@H]1CC[C@H]3[C@H]2CC[C@@]4([C@@H]3CC[C@H]4O)C

DOS

IR

Vibrations