Geometry & MOs

Info

ID:

116215

PubChem CID:

50551293

Reduced:

ClO4N5C32H40 (1)

Stoich.:

AB4C5D32E40 (1)

Weight, g/mol:

607.292532

ΔHf, kcal/mol:

-164.62

Dipole, Da:

5.2

IP(EA), eV:

 -9.11(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[5-(cyclohexylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations