Geometry & MOs

Info

ID:

419008

PubChem CID:

135107313

Reduced:

N3O3C18H23 (1)

Stoich.:

A3B3C18D23 (1)

Weight, g/mol:

636.363533

ΔHf, kcal/mol:

-78.26

Dipole, Da:

5.49

IP(EA), eV:

 -8.92(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-2-(2-methylpropyl)-14-(2-pyridin-4-ylacetyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2C=C(C=N2)CN3C[C@@H](C[C@H]3C(=O)O)O

DOS

IR

Vibrations