Geometry & MOs

Info

ID:

436449

PubChem CID:

135203005

Reduced:

O10N12C61H112 (1)

Stoich.:

A10B12C61D112 (1)

Weight, g/mol:

1171.867189

ΔHf, kcal/mol:

-609.15

Dipole, Da:

11.78

IP(EA), eV:

 -8.7(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-hexanoyl-N-[(2S)-1-[[(2S)-4-methyl-1-[[2-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[2-methyl-1-[[2-methyl-1-oxo-1-[[3-oxo-3-[[(2S)-1-piperidin-1-ylpropan-2-yl]amino]propyl]amino]propan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NCCN1CCN(CC1)C)N(C=O)[C@@H]2CCCN2C(=O)CCCCC

DOS

IR

Vibrations