Geometry & MOs

Info

ID:

115132

PubChem CID:

50510564

Reduced:

BrFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-178.68

Dipole, Da:

3.41

IP(EA), eV:

 -9.0(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-1-[1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5F)C)Br

DOS

IR

Vibrations