Geometry & MOs

Info

ID:

214460

PubChem CID:

85083076

Reduced:

PN5O10C21H24 (1)

Stoich.:

AB5C10D21E24 (1)

Weight, g/mol:

537.191836

ΔHf, kcal/mol:

-320.94

Dipole, Da:

3.24

IP(EA), eV:

 -9.49(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1C(C(=O)N1C(C2=CC=[N+](C=C2)[O-])P(=O)(O)O)NC(=O)C(=NO)C3=CC=C(C=C3)OCCC(C(=O)O)N

DOS

IR

Vibrations