Geometry & MOs

Info

ID:

436446

PubChem CID:

135203002

Reduced:

O10N11C59H109 (1)

Stoich.:

A10B11C59D109 (1)

Weight, g/mol:

1159.830803

ΔHf, kcal/mol:

-626.55

Dipole, Da:

12.01

IP(EA), eV:

 -9.18(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]-N-[(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]decanamide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NCCCN(C)C)NC(=O)[C@@H]1CCCN1C(=O)CCCCC

DOS

IR

Vibrations