Geometry & MOs

Info

ID:

437092

PubChem CID:

135214733

Reduced:

N11O22C79H151 (1)

Stoich.:

A11B22C79D151 (1)

Weight, g/mol:

1016.638252

ΔHf, kcal/mol:

-1136.39

Dipole, Da:

20.68

IP(EA), eV:

 -9.06(0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[2-[[1-[[2-[[1-[[1-[[1-[[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxodecan-2-yl]-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(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)O)NC(=O)[C@@H]1CCCN1C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC

DOS

IR

Vibrations