Geometry & MOs

Info

ID:

108416

PubChem CID:

50244285

Reduced:

F4O4N5C34H35 (1)

Stoich.:

A4B4C5D34E35 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-304.07

Dipole, Da:

12.45

IP(EA), eV:

 -8.7(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations