Geometry & MOs

Info

ID:

116534

PubChem CID:

50564416

Reduced:

ClF2N5O5C33H34 (1)

Stoich.:

AB2C5D5E33F34 (1)

Weight, g/mol:

667.237303

ΔHf, kcal/mol:

-245.61

Dipole, Da:

0.82

IP(EA), eV:

 -9.14(-0.79)

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-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations