Geometry & MOs

Info

ID:

99417

PubChem CID:

50050699

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

653.221653

ΔHf, kcal/mol:

-218.57

Dipole, Da:

9.63

IP(EA), eV:

 -8.99(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(morpholine-4-carbonyl)phenyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations