Geometry & MOs

Info

ID:

103677

PubChem CID:

50072228

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

651.18565

ΔHf, kcal/mol:

-188.99

Dipole, Da:

5.51

IP(EA), eV:

 -8.95(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(dimethylcarbamoyl)phenyl]-1-[1-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations