Geometry & MOs

Info

ID:

436453

PubChem CID:

135203113

Reduced:

O10N11C61H111 (1)

Stoich.:

A10B11C61D111 (1)

Weight, g/mol:

1159.830803

ΔHf, kcal/mol:

-612.93

Dipole, Da:

11.97

IP(EA), eV:

 -9.32(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,3R)-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]-3-hydroxy-4-methyl-1-oxopentan-2-yl]-2-[formyl-[(2S)-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidin-2-yl]amino]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)NC1(CCC1)CN(C)C)N(C=O)[C@@H]2CCCN2C(=O)CCCCC

DOS

IR

Vibrations