Geometry & MOs

Info

ID:

163960

PubChem CID:

74381075

Reduced:

N2O9C33H58 (1)

Stoich.:

A2B9C33D58 (1)

Weight, g/mol:

654.445532

ΔHf, kcal/mol:

-427.46

Dipole, Da:

3.01

IP(EA), eV:

 -8.26(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(dimethylamino)-2-[(16-ethenyl-11-ethyl-4,12-dihydroxy-2,4,6,8,12,18-hexamethyl-9-oxo-10,14-dioxa-1-azabicyclo[11.3.2]octadecan-5-yl)oxy]-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CCC1C(C2C(CN(CC(=C)CO2)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)(C)O

DOS

IR

Vibrations