Geometry & MOs

Info

ID:

109136

PubChem CID:

50273919

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-165.76

Dipole, Da:

7.52

IP(EA), eV:

 -8.71(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC=C4C(=O)N(C)C)C)C)F

DOS

IR

Vibrations