Geometry & MOs

Info

ID:

93335

PubChem CID:

49993572

Reduced:

BrO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-180.51

Dipole, Da:

9.34

IP(EA), eV:

 -8.91(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations