Geometry & MOs

Info

ID:

93591

PubChem CID:

49995616

Reduced:

F3O4N5C34H42 (1)

Stoich.:

A3B4C5D34E42 (1)

Weight, g/mol:

619.353383

ΔHf, kcal/mol:

-305.8

Dipole, Da:

8.17

IP(EA), eV:

 -8.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=C(C=C5)F)F)F

DOS

IR

Vibrations