Geometry & MOs

Info

ID:

422633

PubChem CID:

135118169

Reduced:

O3N4C20H28 (1)

Stoich.:

A3B4C20D28 (1)

Weight, g/mol:

655.313662

ΔHf, kcal/mol:

-88.02

Dipole, Da:

7.75

IP(EA), eV:

 -8.97(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations