Geometry & MOs

Info

ID:

215134

PubChem CID:

85084206

Reduced:

O13C37H58 (1)

Stoich.:

A13B37C58 (1)

Weight, g/mol:

710.411546

ΔHf, kcal/mol:

-635.87

Dipole, Da:

4.0

IP(EA), eV:

 -9.69(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-4-methoxy-1-oxobutan-2-yl)-2-[[2-[[2-[[2-(2,5-diaminopentanoylamino)-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(=O)OCC12C(CC3C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C1CC(C(C2O)O)(C)C)O

DOS

IR

Vibrations