Geometry & MOs

Info

ID:

214843

PubChem CID:

85083733

Reduced:

SN3O8C31H47 (1)

Stoich.:

AB3C8D31E47 (1)

Weight, g/mol:

622.165201

ΔHf, kcal/mol:

-334.58

Dipole, Da:

5.84

IP(EA), eV:

 -8.84(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

1-benzyl-N-[2-[N-[1-carboxy-2-(2-fluorophenyl)-2-hydroxyethyl]-C-phenylcarbonimidoyl]phenyl]pyrrolidine-2-carboximidate;nickel

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(CCC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCSC)C)OC)OC(=O)N)C)C)O)OC

DOS

IR

Vibrations