Geometry & MOs

Info

ID:

118608

PubChem CID:

50649266

Reduced:

ClF2O4N5C31H32 (1)

Stoich.:

AB2C4D5E31F32 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-219.81

Dipole, Da:

2.97

IP(EA), eV:

 -9.17(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations