Geometry & MOs

Info

ID:

163837

PubChem CID:

74380529

Reduced:

O5N10C44H54 (1)

Stoich.:

A5B10C44D54 (1)

Weight, g/mol:

828.534741

ΔHf, kcal/mol:

-136.05

Dipole, Da:

1.92

IP(EA), eV:

 -8.35(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=CC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)N)N

DOS

IR

Vibrations