Geometry & MOs

Info

ID:

316077

PubChem CID:

126629958

Reduced:

Cl3N5O6C31H40 (1)

Stoich.:

A3B5C6D31E40 (1)

Weight, g/mol:

553.290034

ΔHf, kcal/mol:

-258.57

Dipole, Da:

2.31

IP(EA), eV:

 -9.34(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[3-[6-[3-[(1R)-1-hydroxyethyl]phenyl]pyridin-3-yl]propanoylamino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC(=C1)C2=NC=C(C=C2)CCC(=O)NC(C(C)C)C(=O)N[C@@H](C)C(=O)N3CCC[C@H](N3)C(=O)OCC(Cl)(Cl)Cl)O

DOS

IR

Vibrations