Geometry & MOs

Info

ID:

108172

PubChem CID:

50233509

Reduced:

F2N5O5C37H43 (1)

Stoich.:

A2B5C5D37E43 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-261.98

Dipole, Da:

5.39

IP(EA), eV:

 -9.06(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-fluoro-5-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)OC

DOS

IR

Vibrations