Geometry & MOs

Info

ID:

1799

PubChem CID:

5068

Reduced:

N4O12C43H58 (1)

Stoich.:

A4B12C43D58 (1)

Weight, g/mol:

822.405123

ΔHf, kcal/mol:

-436.02

Dipole, Da:

6.36

IP(EA), eV:

 -7.42(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methylpiperazin-1-yl)amino]methylidene]-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

CC1C=CC=C(C(=O)N=C2C(=CNN3CCN(CC3)C)C(=C4C(=C2O)C(=C(C5=C4C(=O)C(O5)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C

DOS

IR

Vibrations