Geometry & MOs

Info

ID:

520

PubChem CID:

2922

Reduced:

NO7C30H37 (1)

Stoich.:

AB7C30D37 (1)

Weight, g/mol:

523.257003

ΔHf, kcal/mol:

-202.11

Dipole, Da:

4.11

IP(EA), eV:

 -9.59(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17-benzyl-5,12-dihydroxy-5,7,13,15-tetramethyl-6,19-dioxo-14-oxa-18-azatetracyclo[9.8.0.01,16.013,15]nonadeca-3,9-dien-2-yl) acetate

Drug info:

PubChemData

Smile

CC1CC=CC2C(C3(C(O3)(C4C2(C(C=CC(C1=O)(C)O)OC(=O)C)C(=O)NC4CC5=CC=CC=C5)C)C)O

DOS

IR

Vibrations