Geometry & MOs

Info

ID:

102948

PubChem CID:

50070255

Reduced:

ClFO5N6C40H48 (1)

Stoich.:

ABC5D6E40F48 (1)

Weight, g/mol:

585.275133

ΔHf, kcal/mol:

-246.98

Dipole, Da:

4.95

IP(EA), eV:

 -8.63(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations