Geometry & MOs

Info

ID:

119502

PubChem CID:

50688072

Reduced:

ClFN6O6C40H46 (1)

Stoich.:

ABC6D6E40F46 (1)

Weight, g/mol:

710.243117

ΔHf, kcal/mol:

-252.37

Dipole, Da:

4.06

IP(EA), eV:

 -8.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-[(2,4-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC(=CC=C6)F)OC

DOS

IR

Vibrations