Geometry & MOs

Info

ID:

436464

PubChem CID:

135203225

Reduced:

O2C5H8 (2)

Stoich.:

A2B5C8 (2)

Weight, g/mol:

1103.768203

ΔHf, kcal/mol:

-176.31

Dipole, Da:

4.18

IP(EA), eV:

-10.2(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(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]amino]-1-oxohexan-2-yl]-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1OCC(O1)CC(=C)C(=O)O

DOS

IR

Vibrations