Geometry & MOs

Info

ID:

168590

PubChem CID:

74991767

Reduced:

N5O5C31H45 (1)

Stoich.:

A5B5C31D45 (1)

Weight, g/mol:

607.348218

ΔHf, kcal/mol:

-228.67

Dipole, Da:

3.9

IP(EA), eV:

 -8.6(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C(CC1=C(NC2=CC=CC=C21)C)NC(=O)C(C3CC3)NC(=O)N4C(CCCC4C)C

DOS

IR

Vibrations