Geometry & MOs

Info

ID:

436456

PubChem CID:

135203118

Reduced:

N11O11C60H109 (1)

Stoich.:

A11B11C60D109 (1)

Weight, g/mol:

1222.760865

ΔHf, kcal/mol:

-655.74

Dipole, Da:

14.72

IP(EA), eV:

 -9.15(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-(7-chloroquinoline-4-carbonyl)-N-[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[1-[[3-[[(2S)-1-(dimethylamino)propan-2-yl]amino]-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]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H](C(=O)N[C@@H]([C@@H](C(C)C)O)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)/C=C/[C@@H](C)CC

DOS

IR

Vibrations