Geometry & MOs

Info

ID:

102311

PubChem CID:

50066189

Reduced:

ClF2O5N6H39C40 (1)

Stoich.:

AB2C5D6E39F40 (1)

Weight, g/mol:

588.150652

ΔHf, kcal/mol:

-223.81

Dipole, Da:

9.36

IP(EA), eV:

 -9.03(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations