Geometry & MOs

Info

ID:

298614

PubChem CID:

117651824

Reduced:

N3O3C22H25 (1)

Stoich.:

A3B3C22D25 (1)

Weight, g/mol:

763.468413

ΔHf, kcal/mol:

-21.7

Dipole, Da:

2.18

IP(EA), eV:

 -9.08(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(4-aminooxan-4-yl)methoxy]-20-[5-(3-fluoropyridin-4-yl)-1,2,4-triazol-1-yl]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-en-6-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)ON2CCC3(CC2)CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations