Geometry & MOs

Info

ID:

84831

PubChem CID:

49870242

Reduced:

N2O6H12C17 (1)

Stoich.:

A2B6C12D17 (1)

Weight, g/mol:

908.52457

ΔHf, kcal/mol:

-174.76

Dipole, Da:

11.02

IP(EA), eV:

 -9.97(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,4R,6R)-4-[[(3R,4S,5S,6R,7S,9R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-7,12-dimethoxy-3,5,7,9,13-pentamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-2-hydroxy-2,6-dimethylcyclohexyl] N-(1,3-benzodioxol-5-ylmethyl)carbamate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC3=C(C=C2)C(=O)C(=C(O3)O)C(=O)NCC(=O)O

DOS

IR

Vibrations