Geometry & MOs

Info

ID:

436450

PubChem CID:

135203076

Reduced:

O10N11C62H113 (1)

Stoich.:

A10B11C62D113 (1)

Weight, g/mol:

1165.820239

ΔHf, kcal/mol:

-644.23

Dipole, Da:

7.68

IP(EA), eV:

 -8.85(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2S)-2-[[(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]carbamoyl]cyclohexyl]benzamide

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)N[C@@H](C)CN1CCCCC1)NC(=O)[C@@H]2CCCN2C(=O)CCCCC

DOS

IR

Vibrations