Geometry & MOs

Info

ID:

168588

PubChem CID:

74991644

Reduced:

O5N6C33H48 (1)

Stoich.:

A5B6C33D48 (1)

Weight, g/mol:

585.298491

ΔHf, kcal/mol:

-221.65

Dipole, Da:

10.52

IP(EA), eV:

 -8.99(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-cyclopropyl-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C(CC1=C(NC2=CC=CC=C21)C#N)NC(=O)C(C(C)C(C)C)NC(=O)N3C(CCCC3C)C

DOS

IR

Vibrations