Geometry & MOs

Info

ID:

179614

PubChem CID:

76511430

Reduced:

NOH25C27 (1)

Stoich.:

ABC25D27 (1)

Weight, g/mol:

548.309766

ΔHf, kcal/mol:

92.17

Dipole, Da:

3.26

IP(EA), eV:

 -8.43(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13,19-dihydroxy-20-(hydroxymethyl)-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)N)C#CC(C2=CC=C(C=C2)C#CC3=CC=CC=C3)O

DOS

IR

Vibrations