Geometry & MOs

Info

ID:

32253

PubChem CID:

6436165

Reduced:

NO3C14H19 (2)

Stoich.:

AB3C14D19 (2)

Weight, g/mol:

832.389473

ΔHf, kcal/mol:

-253.92

Dipole, Da:

4.87

IP(EA), eV:

 -8.65(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z,24E,26E)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-26-[[(2Z)-2-(piperidin-1-ylmethylidene)hydrazinyl]methylidene]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)CN(C)C)C

DOS

IR

Vibrations