Geometry & MOs

Info

ID:

113589

PubChem CID:

50452092

Reduced:

BrClF2O4N5C33H33 (1)

Stoich.:

ABC2D4E5F33G33 (1)

Weight, g/mol:

639.246867

ΔHf, kcal/mol:

-208.05

Dipole, Da:

8.47

IP(EA), eV:

 -9.03(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)Cl)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations