Geometry & MOs

Info

ID:

436448

PubChem CID:

135203004

Reduced:

N11O11C60H109 (1)

Stoich.:

A11B11C60D109 (1)

Weight, g/mol:

1172.862438

ΔHf, kcal/mol:

-660.95

Dipole, Da:

12.48

IP(EA), eV:

 -9.19(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[formyl-[(2S)-1-hexanoylpyrrolidin-2-yl]amino]-N-[(2S)-4-methyl-1-[[2-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]decanamide

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)NCCN1CCOCC1)NC(=O)[C@@H]2CCCN2C(=O)CCCCC

DOS

IR

Vibrations