Geometry & MOs

Info

ID:

105281

PubChem CID:

50106812

Reduced:

FO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-142.93

Dipole, Da:

11.85

IP(EA), eV:

 -8.6(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations