Geometry & MOs

Info

ID:

227721

PubChem CID:

87562309

Reduced:

NP2S2C80H165 (1)

Stoich.:

AB2C2D80E165 (1)

Weight, g/mol:

738.364715

ΔHf, kcal/mol:

-504.49

Dipole, Da:

7.28

IP(EA), eV:

 -8.81(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-4-methylpentanoic acid;(2S,3S)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylpentanoic acid;(2S)-2-amino-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCP(=S)(CCCCCCCCCCCCCCCCCCCC)NP(=S)(CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations