Geometry & MOs

Info

ID:

432644

PubChem CID:

135172780

Reduced:

INOC31H44 (1)

Stoich.:

ABCD31E44 (1)

Weight, g/mol:

771.514614

ΔHf, kcal/mol:

-49.24

Dipole, Da:

3.27

IP(EA), eV:

 -8.75(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R,4S)-5-(2,3-dimethylcycloprop-2-en-1-yl)-3-methoxy-4-[[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]-2-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC1CCCCC(C(CCCC1CC)CC)CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3I

DOS

IR

Vibrations