Geometry & MOs

Info

ID:

114912

PubChem CID:

50501703

Reduced:

BrFO4N5C35H41 (1)

Stoich.:

ABC4D5E35F41 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-194.89

Dipole, Da:

3.35

IP(EA), eV:

 -8.83(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=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)C)F

DOS

IR

Vibrations