Geometry & MOs

Info

ID:

98339

PubChem CID:

50042900

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-282.71

Dipole, Da:

6.95

IP(EA), eV:

 -8.58(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations