Geometry & MOs

Info

ID:

112354

PubChem CID:

50403891

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-174.08

Dipole, Da:

7.3

IP(EA), eV:

 -8.68(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations