Geometry & MOs

Info

ID:

32363

PubChem CID:

6436725

Reduced:

NPO8C44H84 (1)

Stoich.:

ABC8D44E84 (1)

Weight, g/mol:

695.294176

ΔHf, kcal/mol:

-533.23

Dipole, Da:

12.57

IP(EA), eV:

 -9.47(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations