Geometry & MOs

Info

ID:

109817

PubChem CID:

50298505

Reduced:

FO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

722.22276

ΔHf, kcal/mol:

-145.1

Dipole, Da:

3.61

IP(EA), eV:

 -8.52(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations