Geometry & MOs

Info

ID:

105395

PubChem CID:

50107099

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-159.48

Dipole, Da:

8.46

IP(EA), eV:

 -8.84(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations