Geometry & MOs

Info

ID:

107308

PubChem CID:

50198296

Reduced:

ClO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

659.311912

ΔHf, kcal/mol:

-206.17

Dipole, Da:

9.29

IP(EA), eV:

 -8.58(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-1-[1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4C)Cl)C

DOS

IR

Vibrations