Geometry & MOs

Info

ID:

437091

PubChem CID:

135214730

Reduced:

NOC19H21 (1)

Stoich.:

ABC19D21 (1)

Weight, g/mol:

1606.103515

ΔHf, kcal/mol:

18.59

Dipole, Da:

2.86

IP(EA), eV:

-8.94(-0.84)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[[(2S)-1-(dimethylamino)propan-2-yl]amino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]amino]-1-oxodecan-2-yl]-1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C#N)C(=O)C1=CC=C(C=C1)C2=CC(=C)CC(C2)(C)C

DOS

IR

Vibrations