Geometry & MOs

Info

ID:

104160

PubChem CID:

50092282

Reduced:

F2O3N4C31H34 (1)

Stoich.:

A2B3C4D31E34 (1)

Weight, g/mol:

704.23218

ΔHf, kcal/mol:

-176.47

Dipole, Da:

5.54

IP(EA), eV:

 -8.58(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F)F

DOS

IR

Vibrations