Geometry & MOs

Info

ID:

114513

PubChem CID:

50485828

Reduced:

BrF2O4N5C33H34 (1)

Stoich.:

AB2C4D5E33F34 (1)

Weight, g/mol:

651.242389

ΔHf, kcal/mol:

-208.55

Dipole, Da:

10.78

IP(EA), eV:

 -8.95(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[1-[2-[3-[(3,4-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=CC=C4Br)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations