Geometry & MOs

Info

ID:

113936

PubChem CID:

50465206

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

597.331505

ΔHf, kcal/mol:

-274.16

Dipole, Da:

5.85

IP(EA), eV:

 -8.31(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[4-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)OC)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations