Geometry & MOs

Info

ID:

115091

PubChem CID:

50508933

Reduced:

ClFN6O6C35H40 (1)

Stoich.:

ABC6D6E35F40 (1)

Weight, g/mol:

539.229932

ΔHf, kcal/mol:

-265.78

Dipole, Da:

6.94

IP(EA), eV:

 -8.24(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)OC)Cl

DOS

IR

Vibrations