Geometry & MOs

Info

ID:

99927

PubChem CID:

50056329

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

656.312247

ΔHf, kcal/mol:

-270.65

Dipole, Da:

6.34

IP(EA), eV:

 -8.88(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-acetamido-3-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)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations