Geometry & MOs

Info

ID:

419449

PubChem CID:

135108195

Reduced:

O3N4C18H20 (1)

Stoich.:

A3B4C18D20 (1)

Weight, g/mol:

644.37199

ΔHf, kcal/mol:

-33.34

Dipole, Da:

7.23

IP(EA), eV:

 -9.2(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-3-methyl-13-[3-(1-methylpiperidin-4-yl)propanoyl]-6-(2-methylsulfanylethyl)-9-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC=CC2=NC(=CN12)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations