Geometry & MOs

Info

ID:

118050

PubChem CID:

50626183

Reduced:

ClFO5N6C34H36 (1)

Stoich.:

ABC5D6E34F36 (1)

Weight, g/mol:

561.195439

ΔHf, kcal/mol:

-214.19

Dipole, Da:

6.36

IP(EA), eV:

 -8.73(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations