Geometry & MOs

Info

ID:

224061

PubChem CID:

85337723

Reduced:

SP3N5C11O12H18 (1)

Stoich.:

AB3C5D11E12F18 (1)

Weight, g/mol:

537.279863

ΔHf, kcal/mol:

-666.46

Dipole, Da:

6.18

IP(EA), eV:

 -9.5(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

COP(=S)(OP(=O)(O)O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations