Geometry & MOs

Info

ID:

115512

PubChem CID:

50525753

Reduced:

BrFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

559.23616

ΔHf, kcal/mol:

-224.32

Dipole, Da:

3.48

IP(EA), eV:

 -8.85(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(4-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)C)F)Br

DOS

IR

Vibrations