Geometry & MOs

Info

ID:

102246

PubChem CID:

50065662

Reduced:

F4O5N6H38C40 (1)

Stoich.:

A4B5C6D38E40 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-317.05

Dipole, Da:

11.25

IP(EA), eV:

 -8.94(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]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=C5C(=O)NC6=CC(=C(C=C6)F)F

DOS

IR

Vibrations