Geometry & MOs

Info

ID:

436445

PubChem CID:

135203001

Reduced:

O11N12C60H102 (1)

Stoich.:

A11B12C60D102 (1)

Weight, g/mol:

1131.835889

ΔHf, kcal/mol:

-581.6

Dipole, Da:

13.84

IP(EA), eV:

 -9.05(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[3-[3-(dimethylamino)propylamino]-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]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C(=O)N2CCC[C@H]2N(C=O)[C@@H](CCC3CCCCC3)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)NC4(CCC4)CN(C)C

DOS

IR

Vibrations