Geometry & MOs

Info

ID:

116635

PubChem CID:

50569585

Reduced:

ClFN5O5C29H35 (1)

Stoich.:

ABC5D5E29F35 (1)

Weight, g/mol:

706.268189

ΔHf, kcal/mol:

-231.45

Dipole, Da:

10.71

IP(EA), eV:

 -9.09(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)F

DOS

IR

Vibrations