Geometry & MOs

Info

ID:

106843

PubChem CID:

50178733

Reduced:

FN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-265.74

Dipole, Da:

2.98

IP(EA), eV:

 -8.77(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)N6CCOCC6)C)C)F

DOS

IR

Vibrations