Geometry & MOs

Info

ID:

110264

PubChem CID:

50317803

Reduced:

BrFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

736.23841

ΔHf, kcal/mol:

-227.2

Dipole, Da:

8.84

IP(EA), eV:

 -8.71(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)N)C)F

DOS

IR

Vibrations