Geometry & MOs

Info

ID:

180797

PubChem CID:

76686850

Reduced:

N11O13C62H101 (1)

Stoich.:

A11B13C62D101 (1)

Weight, g/mol:

607.12783

ΔHf, kcal/mol:

-632.43

Dipole, Da:

9.38

IP(EA), eV:

 -8.96(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-[2-[4-iodo-2,3-bis(2-methoxyethoxy)phenyl]-2-oxoethyl] pyrrolidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(CO)C(=O)NCC(=O)CC(CO)C(=O)NCC(=O)CC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)CC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)CC(C)CCC(=O)O

DOS

IR

Vibrations