Geometry & MOs

Info

ID:

109452

PubChem CID:

50284786

Reduced:

BrFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

676.257624

ΔHf, kcal/mol:

-220.12

Dipole, Da:

10.98

IP(EA), eV:

 -9.04(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-5-chlorophenyl)-1-[1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C)Br

DOS

IR

Vibrations