Geometry & MOs

Info

ID:

20811

PubChem CID:

585842

Reduced:

NO6C18H23 (2)

Stoich.:

AB6C18D23 (2)

Weight, g/mol:

698.305075

ΔHf, kcal/mol:

-513.81

Dipole, Da:

6.16

IP(EA), eV:

 -8.92(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(15-benzyl-10-butan-2-yl-14-hydroxy-7,13,13-trimethyl-2,5,9,12-tetraoxo-3-propan-2-yl-1,4,8,11-tetraoxacyclopentadec-6-yl)-3-formamido-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)OC(C(C(=O)OC(C(=O)OC(C(C(C(=O)O1)(C)C)O)CC2=CC=CC=C2)C(C)C)NC(=O)C3=C(C(=CC=C3)NC=O)O)C

DOS

IR

Vibrations