Geometry & MOs

Info

ID:

223899

PubChem CID:

85335730

Reduced:

F3N4O5C35H51 (1)

Stoich.:

A3B4C5D35E51 (1)

Weight, g/mol:

669.312226

ΔHf, kcal/mol:

-355.7

Dipole, Da:

2.37

IP(EA), eV:

 -9.43(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-[[1-[[4-amino-1-[[6-amino-1-[(1-carboxy-2-phenylethyl)amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(CCN(C)C(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC#C)C(=O)NC(CC2CCCCC2)C(C(C3CC3)O)O)CC(F)(F)F

DOS

IR

Vibrations