Geometry & MOs

Info

ID:

421015

PubChem CID:

135115239

Reduced:

NO5C20H23 (1)

Stoich.:

AB5C20D23 (1)

Weight, g/mol:

696.364676

ΔHf, kcal/mol:

-192.17

Dipole, Da:

5.68

IP(EA), eV:

 -8.85(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-4-[(5S,8S,11R,14S)-8-[(4-methoxyphenyl)methyl]-11-methyl-5-(2-methylpropyl)-3,6,9,12-tetraoxo-14-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CC[C@@H]([C@H](C1)C(=O)O)O)OC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations