Geometry & MOs

Info

ID:

117853

PubChem CID:

50618260

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-227.8

Dipole, Da:

12.16

IP(EA), eV:

 -8.49(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-(dimethylcarbamoyl)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)N3CCCC3C(=O)NC4=C(C=CC=C4C(=O)NC5=CC(=CC=C5)F)C)Cl

DOS

IR

Vibrations