Geometry & MOs

Info

ID:

105282

PubChem CID:

50106813

Reduced:

F2O4N5H35C36 (1)

Stoich.:

A2B4C5D35E36 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-188.91

Dipole, Da:

6.72

IP(EA), eV:

 -8.64(-0.76)

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-[(2-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=C5)F

DOS

IR

Vibrations