Geometry & MOs

Info

ID:

118178

PubChem CID:

50632096

Reduced:

ClFN6O6C40H42 (1)

Stoich.:

ABC6D6E40F42 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-220.28

Dipole, Da:

9.73

IP(EA), eV:

 -8.61(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-[4-[(2,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F)Cl

DOS

IR

Vibrations