Geometry & MOs

Info

ID:

116231

PubChem CID:

50551957

Reduced:

BrClO5N6C33H42 (1)

Stoich.:

ABC5D6E33F42 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-210.03

Dipole, Da:

11.9

IP(EA), eV:

 -8.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4)Br

DOS

IR

Vibrations