Geometry & MOs

Info

ID:

163839

PubChem CID:

74380532

Reduced:

N2O12C41H76 (1)

Stoich.:

A2B12C41D76 (1)

Weight, g/mol:

870.545305

ΔHf, kcal/mol:

-607.23

Dipole, Da:

4.99

IP(EA), eV:

 -8.31(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[7-(5-acetyloxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-11-ethyl-4,12-dihydroxy-2,4,6,8,12,19-hexamethyl-16-methylidene-9-oxo-10,14-dioxa-1-azabicyclo[11.4.2]nonadecan-5-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1C(C2C(CN(CC(CO2)C)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)(C)O

DOS

IR

Vibrations