Geometry & MOs

Info

ID:

113417

PubChem CID:

50444201

Reduced:

ClF2O5N6C36H41 (1)

Stoich.:

AB2C5D6E36F41 (1)

Weight, g/mol:

605.281361

ΔHf, kcal/mol:

-278.31

Dipole, Da:

6.91

IP(EA), eV:

 -8.94(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F)Cl

DOS

IR

Vibrations