Geometry & MOs

Info

ID:

95768

PubChem CID:

50014057

Reduced:

ClO5N6C38H53 (1)

Stoich.:

AB5C6D38E53 (1)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-243.2

Dipole, Da:

6.21

IP(EA), eV:

 -9.09(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations