Geometry & MOs

Info

ID:

188797

PubChem CID:

77768141

Reduced:

SO5N6C24H34 (1)

Stoich.:

AB5C6D24E34 (1)

Weight, g/mol:

642.39925

ΔHf, kcal/mol:

-178.6

Dipole, Da:

8.36

IP(EA), eV:

 -9.13(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-[[1-[[1-[[5-ethoxy-3-hydroxy-1-(1H-indol-3-yl)-5-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(C(=O)N1CCCC1C(=O)N)N(CCCCN=C(N)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)O

DOS

IR

Vibrations