Geometry & MOs

Info

ID:

436460

PubChem CID:

135203219

Reduced:

O5N6C31H52 (2)

Stoich.:

A5B6C31D52 (2)

Weight, g/mol:

1195.867189

ΔHf, kcal/mol:

-559.08

Dipole, Da:

3.07

IP(EA), eV:

 -8.72(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-formylamino]-N-[(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]decanamide

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)NC(CC(C)C)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)C2=CC3=C(C=C2)NC=C3

DOS

IR

Vibrations