Geometry & MOs

Info

ID:

120224

PubChem CID:

50718910

Reduced:

BrClO4N5C29H35 (1)

Stoich.:

ABC4D5E29F35 (1)

Weight, g/mol:

553.245582

ΔHf, kcal/mol:

-158.1

Dipole, Da:

9.8

IP(EA), eV:

 -9.11(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(1-phenylethyl)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)NC)Cl)C)Br

DOS

IR

Vibrations