Geometry & MOs

Info

ID:

222989

PubChem CID:

85333688

Reduced:

N9O11C36H65 (1)

Stoich.:

A9B11C36D65 (1)

Weight, g/mol:

800.46973

ΔHf, kcal/mol:

-588.58

Dipole, Da:

3.13

IP(EA), eV:

 -9.78(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-diamino-N-[1-[[1-[[1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)CN

DOS

IR

Vibrations