Geometry & MOs

Info

ID:

223308

PubChem CID:

85334838

Reduced:

S3N18O22C66H106 (1)

Stoich.:

A3B18C22D66E106 (1)

Weight, g/mol:

1599.66423

ΔHf, kcal/mol:

-1046.32

Dipole, Da:

4.46

IP(EA), eV:

 -8.83(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[[5-[[5-amino-1-[[1-[[1-[[1-[[2-[[1-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;lutetium

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CS)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations