Geometry & MOs

Info

ID:

432658

PubChem CID:

135172794

Reduced:

NO3H15C16 (1)

Stoich.:

AB3C15D16 (1)

Weight, g/mol:

785.530264

ΔHf, kcal/mol:

-71.32

Dipole, Da:

3.55

IP(EA), eV:

-8.19(-0.5)

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-(4-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC2=C(C=C1)NC3=CC=CC=C32

DOS

IR

Vibrations