Geometry & MOs

Info

ID:

102957

PubChem CID:

50070264

Reduced:

ClFO4N5C34H37 (1)

Stoich.:

ABC4D5E34F37 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-178.32

Dipole, Da:

7.96

IP(EA), eV:

 -8.77(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=CC=C5)Cl)C

DOS

IR

Vibrations