Geometry & MOs

Info

ID:

100560

PubChem CID:

50062328

Reduced:

F2O5N6C35H38 (1)

Stoich.:

A2B5C6D35E38 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-256.33

Dipole, Da:

2.3

IP(EA), eV:

 -9.1(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N

DOS

IR

Vibrations