Geometry & MOs

Info

ID:

417386

PubChem CID:

135092975

Reduced:

O3N4C22H24 (1)

Stoich.:

A3B4C22D24 (1)

Weight, g/mol:

657.294468

ΔHf, kcal/mol:

-53.17

Dipole, Da:

5.15

IP(EA), eV:

 -8.39(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=NNC4=C3COCC4)C5=C1C6=CC=CC=C6N5

DOS

IR

Vibrations