Geometry & MOs

Info

ID:

112717

PubChem CID:

50416765

Reduced:

FN5O5C37H38 (1)

Stoich.:

AB5C5D37E38 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-177.36

Dipole, Da:

12.35

IP(EA), eV:

 -8.69(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4OC)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations