Geometry & MOs

Info

ID:

116364

PubChem CID:

50558138

Reduced:

ClF2O5N6C37H43 (1)

Stoich.:

AB2C5D6E37F43 (1)

Weight, g/mol:

599.267461

ΔHf, kcal/mol:

-282.94

Dipole, Da:

9.25

IP(EA), eV:

 -8.97(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[5-(cyclohexanecarbonylamino)-2-fluorophenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC(=C(C=C4)F)F)Cl

DOS

IR

Vibrations