Geometry & MOs

Info

ID:

173097

PubChem CID:

75596060

Reduced:

N3P3C9O13H14 (1)

Stoich.:

A3B3C9D13E14 (1)

Weight, g/mol:

865.433404

ΔHf, kcal/mol:

-679.55

Dipole, Da:

8.56

IP(EA), eV:

 -9.06(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[5-amino-2-[[1-[2-[[4-amino-2-[(2-amino-3-phenylpropanoyl)amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations