Geometry & MOs

Info

ID:

114375

PubChem CID:

50480796

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-217.08

Dipole, Da:

5.42

IP(EA), eV:

 -8.7(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(4-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations