Geometry & MOs

Info

ID:

111764

PubChem CID:

50380694

Reduced:

BrO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

655.353383

ΔHf, kcal/mol:

-171.33

Dipole, Da:

6.83

IP(EA), eV:

 -8.84(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)Br)C

DOS

IR

Vibrations