Geometry & MOs

Info

ID:

223185

PubChem CID:

85334652

Reduced:

O8N13C24H44 (2)

Stoich.:

A8B13C24D44 (2)

Weight, g/mol:

1283.42332

ΔHf, kcal/mol:

-714.71

Dipole, Da:

8.79

IP(EA), eV:

 -9.38(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[3-[7-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-2-(carboxymethyl)-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propylamino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxo-4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]pentanoic acid;lutetium

Drug info:

PubChemData

Smile

C(CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)N)CN=C(N)N

DOS

IR

Vibrations