Geometry & MOs

Info

ID:

115488

PubChem CID:

50524645

Reduced:

ClN5O5C25H30 (1)

Stoich.:

AB5C5D25E30 (1)

Weight, g/mol:

750.334125

ΔHf, kcal/mol:

-184.46

Dipole, Da:

10.36

IP(EA), eV:

 -8.58(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations