Geometry & MOs

Info

ID:

1640

PubChem CID:

4802

Reduced:

PN3O10C23H34 (1)

Stoich.:

AB3C10D23E34 (1)

Weight, g/mol:

543.198181

ΔHf, kcal/mol:

-505.36

Dipole, Da:

3.5

IP(EA), eV:

 -8.65(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[hydroxy-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphosphoryl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O

DOS

IR

Vibrations