Geometry & MOs

Info

ID:

116366

PubChem CID:

50558213

Reduced:

ClFN5O5C32H35 (1)

Stoich.:

ABC5D5E32F35 (1)

Weight, g/mol:

611.211089

ΔHf, kcal/mol:

-209.67

Dipole, Da:

7.98

IP(EA), eV:

 -8.92(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations