Geometry & MOs

Info

ID:

419604

PubChem CID:

135108538

Reduced:

NOC7H9 (3)

Stoich.:

ABC7D9 (3)

Weight, g/mol:

600.363533

ΔHf, kcal/mol:

-83.53

Dipole, Da:

3.57

IP(EA), eV:

 -8.8(0.23)

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)-15-propan-2-yl-13-[(2S)-pyrrolidine-2-carbonyl]-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations