Geometry & MOs

Info

ID:

113133

PubChem CID:

50432105

Reduced:

FO5N6C42H45 (1)

Stoich.:

AB5C6D42E45 (1)

Weight, g/mol:

736.318475

ΔHf, kcal/mol:

-191.79

Dipole, Da:

9.44

IP(EA), eV:

 -9.02(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1-[1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations