Geometry & MOs

Info

ID:

221769

PubChem CID:

85286125

Reduced:

F2N5O5C33H35 (1)

Stoich.:

A2B5C5D33E35 (1)

Weight, g/mol:

619.307809

ΔHf, kcal/mol:

-254.06

Dipole, Da:

6.76

IP(EA), eV:

 -8.96(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[2-[2-(2-benzamidopropanoylamino)propanoylamino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC(=C(C=C2)F)F)CNC(=O)CCC(=O)O)NC(=O)C(CC3=CNC4=CC=CC=C43)N

DOS

IR

Vibrations