Geometry & MOs

Info

ID:

101825

PubChem CID:

50065099

Reduced:

F2O5N6C34H36 (1)

Stoich.:

A2B5C6D34E36 (1)

Weight, g/mol:

674.302825

ΔHf, kcal/mol:

-251.54

Dipole, Da:

11.66

IP(EA), eV:

 -8.89(-0.55)

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-[3-(dimethylcarbamoyl)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(=C5)C(=O)N

DOS

IR

Vibrations