Geometry & MOs

Info

ID:

97335

PubChem CID:

50030403

Reduced:

ClF2N5O5C31H32 (1)

Stoich.:

AB2C5D5E31F32 (1)

Weight, g/mol:

577.250061

ΔHf, kcal/mol:

-246.05

Dipole, Da:

3.9

IP(EA), eV:

 -9.14(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations