Geometry & MOs

Info

ID:

423799

PubChem CID:

135120250

Reduced:

NOC14H18 (2)

Stoich.:

ABC14D18 (2)

Weight, g/mol:

699.330185

ΔHf, kcal/mol:

-69.08

Dipole, Da:

5.46

IP(EA), eV:

 -8.71(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-13-[2-(4-methylsulfonylphenyl)acetyl]-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)C3(CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations