Geometry & MOs

Info

ID:

102001

PubChem CID:

50065279

Reduced:

FN3O3C19H21 (2)

Stoich.:

AB3C3D19E21 (2)

Weight, g/mol:

714.334125

ΔHf, kcal/mol:

-287.94

Dipole, Da:

14.47

IP(EA), eV:

 -8.86(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[5-[(3,4-difluorophenyl)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)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N6CCOCC6

DOS

IR

Vibrations