Geometry & MOs

Info

ID:

118870

PubChem CID:

50662237

Reduced:

ClO4N5C30H36 (1)

Stoich.:

AB4C5D30E36 (1)

Weight, g/mol:

633.251811

ΔHf, kcal/mol:

-147.87

Dipole, Da:

3.36

IP(EA), eV:

 -9.13(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations