Geometry & MOs

Info

ID:

103107

PubChem CID:

50070422

Reduced:

FCl2O4N5C33H34 (1)

Stoich.:

AB2C4D5E33F34 (1)

Weight, g/mol:

687.223545

ΔHf, kcal/mol:

-182.44

Dipole, Da:

8.52

IP(EA), eV:

 -8.74(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-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)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)Cl

DOS

IR

Vibrations