Geometry & MOs

Info

ID:

117140

PubChem CID:

50592758

Reduced:

ClFN5O5C30H31 (1)

Stoich.:

ABC5D5E30F31 (1)

Weight, g/mol:

559.17531

ΔHf, kcal/mol:

-196.51

Dipole, Da:

6.96

IP(EA), eV:

 -8.44(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations