Geometry & MOs

Info

ID:

436455

PubChem CID:

135203117

Reduced:

N11O11C59H107 (1)

Stoich.:

A11B11C59D107 (1)

Weight, g/mol:

1159.830803

ΔHf, kcal/mol:

-643.85

Dipole, Da:

7.58

IP(EA), eV:

 -9.02(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(2S,3R)-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]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H](C(=O)N[C@@H]([C@@H](C(C)C)O)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)N[C@@H](C)CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)/C=C/CCC

DOS

IR

Vibrations