Geometry & MOs

Info

ID:

222688

PubChem CID:

85320403

Reduced:

N9O10C42H61 (1)

Stoich.:

A9B10C42D61 (1)

Weight, g/mol:

944.427984

ΔHf, kcal/mol:

-440.25

Dipole, Da:

7.02

IP(EA), eV:

 -8.86(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[[2-[[3-[[4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoyl]amino]-2-hydroxy-5-methylhexyl]amino]-3-carboxypropanoyl]amino]propanoylamino]-5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC(=O)C(C)(C)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CC1=CN(C=N1)CC2=CC=CC=C2)NC(=O)C(CC3=CN=CN3C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations