Geometry & MOs

Info

ID:

115289

PubChem CID:

50517130

Reduced:

FN5O5C37H38 (1)

Stoich.:

AB5C5D37E38 (1)

Weight, g/mol:

577.250061

ΔHf, kcal/mol:

-173.19

Dipole, Da:

3.69

IP(EA), eV:

 -8.69(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations