Geometry & MOs

Info

ID:

418140

PubChem CID:

135103652

Reduced:

ON5H17C19 (1)

Stoich.:

AB5C17D19 (1)

Weight, g/mol:

639.309055

ΔHf, kcal/mol:

130.68

Dipole, Da:

4.43

IP(EA), eV:

 -9.11(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-15-ethyl-13-[2-(3-methoxyphenyl)sulfanylacetyl]-9-methyl-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=C(C1C(=O)NCC2=CC(=CC=C2)C3=NNN=N3)C4=CC=CC=C4

DOS

IR

Vibrations