Geometry & MOs

Info

ID:

109738

PubChem CID:

50295965

Reduced:

FO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-139.72

Dipole, Da:

4.64

IP(EA), eV:

 -8.82(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-fluoroanilino)-3-oxopropyl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations