Geometry & MOs

Info

ID:

173140

PubChem CID:

75603857

Reduced:

NO3C26H33 (1)

Stoich.:

AB3C26D33 (1)

Weight, g/mol:

846.545305

ΔHf, kcal/mol:

-102.66

Dipole, Da:

3.53

IP(EA), eV:

 -8.25(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-butylcarbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1NC(=O)C=CC3=CC(=C(C=C3)OC)OC)C(CCC2(C)C)(C)C

DOS

IR

Vibrations