Geometry & MOs

Info

ID:

109165

PubChem CID:

50275247

Reduced:

FN2O2C14H15 (3)

Stoich.:

AB2C2D14E15 (3)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-326.05

Dipole, Da:

10.23

IP(EA), eV:

 -8.48(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)phenyl]-1-[1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)OC

DOS

IR

Vibrations