Geometry & MOs

Info

ID:

112653

PubChem CID:

50414452

Reduced:

FO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

746.359197

ΔHf, kcal/mol:

-199.46

Dipole, Da:

2.0

IP(EA), eV:

 -8.27(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(3-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations