Geometry & MOs

Info

ID:

117737

PubChem CID:

50613291

Reduced:

Cl2O5N6C37H50 (1)

Stoich.:

A2B5C6D37E50 (1)

Weight, g/mol:

648.226324

ΔHf, kcal/mol:

-242.23

Dipole, Da:

14.37

IP(EA), eV:

 -8.63(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(4-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations