Geometry & MOs

Info

ID:

188495

PubChem CID:

77723946

Reduced:

SN3O6C31H37 (1)

Stoich.:

AB3C6D31E37 (1)

Weight, g/mol:

590.271857

ΔHf, kcal/mol:

-181.4

Dipole, Da:

8.16

IP(EA), eV:

 -8.77(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[5-[[2-(2-aminopentanoylamino)-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)C(C3)OC(=O)O)S(=O)(=O)C

DOS

IR

Vibrations