Geometry & MOs

Info

ID:

164140

PubChem CID:

74382085

Reduced:

F2N2O4H18C23 (1)

Stoich.:

A2B2C4D18E23 (1)

Weight, g/mol:

1066.555979

ΔHf, kcal/mol:

-186.39

Dipole, Da:

2.06

IP(EA), eV:

 -9.12(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[1-[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(OC(=O)N2C3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations