Geometry & MOs

Info

ID:

315908

PubChem CID:

126629407

Reduced:

NO3C26H27 (1)

Stoich.:

AB3C26D27 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-54.98

Dipole, Da:

7.52

IP(EA), eV:

 -9.07(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,11S,14S,22E)-2,11-dimethyl-14-propan-2-yl-3-oxa-9,12,15,30,33-pentazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3CO)OCC4CC4

DOS

IR

Vibrations