Geometry & MOs

Info

ID:

222766

PubChem CID:

85332432

Reduced:

SN3O7C26H26 (1)

Stoich.:

AB3C7D26E26 (1)

Weight, g/mol:

523.264213

ΔHf, kcal/mol:

-172.38

Dipole, Da:

4.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.058571

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C[N+]1=C2C=CC=CC2C(=O)N(C1=O)CCCCC(=O)ONS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations