Geometry & MOs

Info

ID:

169990

PubChem CID:

75178688

Reduced:

BN5O6C37H46 (1)

Stoich.:

AB5C6D37E46 (1)

Weight, g/mol:

581.280949

ΔHf, kcal/mol:

-253.18

Dipole, Da:

8.65

IP(EA), eV:

 -9.0(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-methyl-1-[[2-[[3-naphthalen-2-yl-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-phenylpropanoyl]amino]butyl]boronic acid

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C2O1)C3(C)C)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6=NC=CN=C6

DOS

IR

Vibrations