Geometry & MOs

Info

ID:

215350

PubChem CID:

85084581

Reduced:

NSSiO8C47H59 (1)

Stoich.:

ABCD8E47F59 (1)

Weight, g/mol:

826.509194

ΔHf, kcal/mol:

-296.95

Dipole, Da:

3.08

IP(EA), eV:

 -9.11(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-cyanoethyl)-1-[3-[2-ethyl-3,4,10,13-tetrahydroxy-11-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propyl]-3-naphthalen-1-ylurea

Drug info:

PubChemData

Smile

CC(=O)OC(CCOCC1=CC=CC=C1)C2CCC3CC(ON3C2CCCS(=O)(=O)C4=CC=CC=C4)C(=O)CCO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C

DOS

IR

Vibrations