Geometry & MOs

Info

ID:

116439

PubChem CID:

50560394

Reduced:

Cl2O4N5C27H31 (1)

Stoich.:

A2B4C5D27E31 (1)

Weight, g/mol:

645.17174

ΔHf, kcal/mol:

-157.39

Dipole, Da:

7.52

IP(EA), eV:

 -8.98(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(propylcarbamoyl)phenyl]-1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCC2)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C(=O)N)Cl

DOS

IR

Vibrations