Geometry & MOs

Info

ID:

179615

PubChem CID:

76511431

Reduced:

N2O8C29H44 (1)

Stoich.:

A2B8C29D44 (1)

Weight, g/mol:

546.294116

ΔHf, kcal/mol:

-364.21

Dipole, Da:

3.15

IP(EA), eV:

 -8.53(-0.1)

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),4,6,10,18,20-hexaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(CCC=C(C(=O)NC2=CC(=C(C(=C2)CO)O)C1)C)OC)OC(=O)N)C)C)O)OC

DOS

IR

Vibrations