Geometry & MOs

Info

ID:

115968

PubChem CID:

50541391

Reduced:

FO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-215.34

Dipole, Da:

7.12

IP(EA), eV:

 -8.51(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations