Geometry & MOs

Info

ID:

326904

PubChem CID:

126688610

Reduced:

SF3N4O4H23C24 (1)

Stoich.:

AB3C4D4E23F24 (1)

Weight, g/mol:

1503.766819

ΔHf, kcal/mol:

-258.13

Dipole, Da:

6.76

IP(EA), eV:

 -9.01(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-5-[[8-[[5-[2,6-bis[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoylamino]-5-carboxypentyl]amino]-8-oxooctanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(=O)OCCCN1C2=C(C=C(C=C2)N3CCSCC3=O)N=C1NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations