Geometry & MOs

Info

ID:

436457

PubChem CID:

135203119

Reduced:

ClO10N12C63H103 (1)

Stoich.:

AB10C12D63E103 (1)

Weight, g/mol:

1145.815153

ΔHf, kcal/mol:

-562.83

Dipole, Da:

12.81

IP(EA), eV:

 -9.02(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[3-[1-(dimethylamino)propan-2-ylamino]-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)-hex-2-enoyl]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)N[C@@H](C)CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)C2=C3C=CC(=CC3=NC=C2)Cl

DOS

IR

Vibrations