Geometry & MOs

Info

ID:

103980

PubChem CID:

50086444

Reduced:

ClFO3N4C29H30 (1)

Stoich.:

ABC3D4E29F30 (1)

Weight, g/mol:

694.19146

ΔHf, kcal/mol:

-133.76

Dipole, Da:

12.19

IP(EA), eV:

 -8.71(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-carbamoylanilino)-3-oxopropyl]-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=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations