Geometry & MOs

Info

ID:

98096

PubChem CID:

50039587

Reduced:

ClF2O5N6C40H47 (1)

Stoich.:

AB2C5D6E40F47 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-294.87

Dipole, Da:

12.79

IP(EA), eV:

 -8.82(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)Cl

DOS

IR

Vibrations