Geometry & MOs

Info

ID:

120230

PubChem CID:

50718916

Reduced:

ClFO5N6C34H36 (1)

Stoich.:

ABC5D6E34F36 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-205.15

Dipole, Da:

1.92

IP(EA), eV:

 -9.01(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations