Geometry & MOs

Info

ID:

425897

PubChem CID:

135129481

Reduced:

NO2C10H21 (1)

Stoich.:

AB2C10D21 (1)

Weight, g/mol:

1394.83528

ΔHf, kcal/mol:

-118.78

Dipole, Da:

3.32

IP(EA), eV:

-9.3(1.55)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[5-[methyl-[2-[2-[2-[2-[2-[[4-[(12Z)-11-methyl-6,11-dihydrobenzo[c][1]benzazonin-5-yl]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]-5-oxopentanoyl]amino]butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(CCCCCC1OCCO1)N

DOS

IR

Vibrations