Geometry & MOs

Info

ID:

437085

PubChem CID:

135214607

Reduced:

O5N6C26H50 (1)

Stoich.:

A5B6C26D50 (1)

Weight, g/mol:

1144.783519

ΔHf, kcal/mol:

-287.79

Dipole, Da:

2.42

IP(EA), eV:

-8.68(0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N(C(C)C)C(C)(C)C(=O)NCCC(=O)NCCN(C)C

DOS

IR

Vibrations