Geometry & MOs

Info

ID:

160638

PubChem CID:

57389291

Reduced:

SN2O5C13H20 (1)

Stoich.:

AB2C5D13E20 (1)

Weight, g/mol:

918.438172

ΔHf, kcal/mol:

-174.93

Dipole, Da:

5.55

IP(EA), eV:

 -10.25(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)OCC=C

DOS

IR

Vibrations