Geometry & MOs

Info

ID:

117706

PubChem CID:

50612315

Reduced:

BrClO4N5C27H31 (1)

Stoich.:

ABC4D5E27F31 (1)

Weight, g/mol:

543.20486

ΔHf, kcal/mol:

-154.23

Dipole, Da:

4.22

IP(EA), eV:

 -8.78(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-(5-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations