Geometry & MOs

Info

ID:

91859

PubChem CID:

49979691

Reduced:

ClFN5O5C32H39 (1)

Stoich.:

ABC5D5E32F39 (1)

Weight, g/mol:

643.298154

ΔHf, kcal/mol:

-242.92

Dipole, Da:

5.93

IP(EA), eV:

 -8.99(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations