Geometry & MOs

Info

ID:

436452

PubChem CID:

135203090

Reduced:

SO8C27H52 (1)

Stoich.:

AB8C27D52 (1)

Weight, g/mol:

1157.851539

ΔHf, kcal/mol:

-451.06

Dipole, Da:

3.77

IP(EA), eV:

 -10.5(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[[1-[(dimethylamino)methyl]cyclobutyl]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]-4-methyl-1-oxopentan-2-yl]-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]decanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OC(CC)S(=O)(=O)O)O

DOS

IR

Vibrations