Geometry & MOs

Info

ID:

187148

PubChem CID:

77535653

Reduced:

ClO3N5C36H42 (1)

Stoich.:

AB3C5D36E42 (1)

Weight, g/mol:

613.343526

ΔHf, kcal/mol:

-73.57

Dipole, Da:

8.21

IP(EA), eV:

 -9.05(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-methylbutanoic acid;2,6-diaminohexanoic acid;2,5-diamino-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CN(C(CN1)CC2=CC=CC=C2)C(=O)C3=C(N(C=N3)C(CCC4=CC=CC=C4)CC(=O)N5CCOCC5)C6=CC=CC=C6.Cl

DOS

IR

Vibrations