Geometry & MOs

Info

ID:

307380

PubChem CID:

125299741

Reduced:

ON6H16C24 (1)

Stoich.:

AB6C16D24 (1)

Weight, g/mol:

806.410209

ΔHf, kcal/mol:

178.57

Dipole, Da:

3.6

IP(EA), eV:

 -8.64(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,9Z,11R,12S,13R,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

C1C(=C2C=CC=CC2=N1)/C=N\NC3=NN4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C63

DOS

IR

Vibrations