Geometry & MOs

Info

ID:

436458

PubChem CID:

135203120

Reduced:

N11O11C59H107 (1)

Stoich.:

A11B11C59D107 (1)

Weight, g/mol:

1222.760865

ΔHf, kcal/mol:

-651.37

Dipole, Da:

14.99

IP(EA), eV:

 -9.15(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-(7-chloroquinoline-4-carbonyl)-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]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)NC(=O)[C@@H]1CCCN1C(=O)/C=C/CCC

DOS

IR

Vibrations