Geometry & MOs

Info

ID:

114342

PubChem CID:

50479821

Reduced:

F4O4N5H31C35 (1)

Stoich.:

A4B4C5D31E35 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-267.54

Dipole, Da:

5.9

IP(EA), eV:

 -9.14(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations