Geometry & MOs

Info

ID:

96930

PubChem CID:

50025968

Reduced:

FO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

655.353383

ΔHf, kcal/mol:

-185.57

Dipole, Da:

8.33

IP(EA), eV:

 -9.06(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations