Geometry & MOs

Info

ID:

119999

PubChem CID:

50711096

Reduced:

BrClO4N5C34H37 (1)

Stoich.:

ABC4D5E34F37 (1)

Weight, g/mol:

605.22051

ΔHf, kcal/mol:

-131.2

Dipole, Da:

10.47

IP(EA), eV:

 -8.8(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl)C)Br

DOS

IR

Vibrations