Geometry & MOs

Info

ID:

326872

PubChem CID:

126688459

Reduced:

F2N4O4C23H24 (1)

Stoich.:

A2B4C4D23E24 (1)

Weight, g/mol:

2188.084131

ΔHf, kcal/mol:

-194.65

Dipole, Da:

3.75

IP(EA), eV:

 -8.74(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-carboxy-5-[[8-[[1-carboxy-5-[5-[2,4,6-tris[1-[2-hydroxy-3-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]propyl]triazol-4-yl]phenoxy]pentanoylamino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C[C@H](CCO)N1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations