Geometry & MOs

Info

ID:

436447

PubChem CID:

135203003

Reduced:

N11O11C60H109 (1)

Stoich.:

A11B11C60D109 (1)

Weight, g/mol:

1159.830803

ΔHf, kcal/mol:

-586.96

Dipole, Da:

5.33

IP(EA), eV:

 -8.42(-0.61)

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-[[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]amino]-1-oxopropan-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)NCCN1CCOCC1)N(C=O)[C@@H]2CCCN2C(=O)CCCCC

DOS

IR

Vibrations