Geometry & MOs

Info

ID:

97403

PubChem CID:

50031243

Reduced:

ClF2O4N5H28C29 (1)

Stoich.:

AB2C4D5E28F29 (1)

Weight, g/mol:

626.321668

ΔHf, kcal/mol:

-206.09

Dipole, Da:

9.26

IP(EA), eV:

 -9.0(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[3-oxo-3-[3-(propan-2-ylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations