Geometry & MOs

Info

ID:

313419

PubChem CID:

126614626

Reduced:

SO12N13C50H77 (1)

Stoich.:

AB12C13D50E77 (1)

Weight, g/mol:

1402.721313

ΔHf, kcal/mol:

-522.11

Dipole, Da:

6.8

IP(EA), eV:

 -8.44(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[2-[2-[2-[[2-[4,7-bis[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NCC(=O)NCCOCCOCCN)NC(=O)CNC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C)N)C

DOS

IR

Vibrations