Geometry & MOs

Info

ID:

419777

PubChem CID:

135109050

Reduced:

N6C17H24 (1)

Stoich.:

A6B17C24 (1)

Weight, g/mol:

602.288654

ΔHf, kcal/mol:

71.47

Dipole, Da:

3.47

IP(EA), eV:

 -8.61(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC=NN4

DOS

IR

Vibrations