Geometry & MOs

Info

ID:

106398

PubChem CID:

50161930

Reduced:

ClF3O4N5C33H41 (1)

Stoich.:

AB3C4D5E33F41 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-332.74

Dipole, Da:

8.72

IP(EA), eV:

 -9.02(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-1-[1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations