Geometry & MOs

Info

ID:

422503

PubChem CID:

135117939

Reduced:

N3O4C21H25 (1)

Stoich.:

A3B4C21D25 (1)

Weight, g/mol:

608.332233

ΔHf, kcal/mol:

-157.58

Dipole, Da:

8.07

IP(EA), eV:

 -9.31(-0.27)

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-(pyridine-4-carbonyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(=O)N2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations