Geometry & MOs

Info

ID:

415852

PubChem CID:

135088854

Reduced:

NO2C10H15 (2)

Stoich.:

AB2C10D15 (2)

Weight, g/mol:

683.368284

ΔHf, kcal/mol:

-168.56

Dipole, Da:

5.92

IP(EA), eV:

 -8.86(-0.09)

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-phenylbenzoyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CC[C@]3(CCCN([C@@H]3C2)CCO)CO

DOS

IR

Vibrations