Geometry & MOs

Info

ID:

114727

PubChem CID:

50494122

Reduced:

FO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-187.6

Dipole, Da:

1.86

IP(EA), eV:

 -9.02(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CCCCC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations