Geometry & MOs

Info

ID:

231303

PubChem CID:

87573430

Reduced:

SO3N5C9H9 (1)

Stoich.:

AB3C5D9E9 (1)

Weight, g/mol:

700.336667

ΔHf, kcal/mol:

-22.55

Dipole, Da:

3.83

IP(EA), eV:

 -9.87(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]hydrazinyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CSC(=N1)CN2N=CC(=N2)NC(=O)O

DOS

IR

Vibrations